3-Amino-2-pyridinecarboxylic acid structure

3D Mol Similar

3-Amino-2-pyridinecarboxylic acid

: Iupac Name：3-aminopyridine-2-carboxylic acid; CAS No.: 1462-86-8; Molecular Weight：138.12404; Modify Date.: 2023-03-06 10:24; Introduction:
3-Amino-2-pyridinecarboxylic acid, with the chemical formula C7H7N3O2 and CAS registry number 1462-86-8, is a compound known for its role as a building block in organic synthesis. This compound, also referred to as 3-Aminonicotinic acid, contains an amino group and a carboxylic acid group attached to a pyridine ring. It is commonly used in the preparation of pharmaceuticals, agrochemicals, and other organic compounds. 3-Amino-2-pyridinecarboxylic acid offers a versatile platform for the introduction of the amino and carboxylic acid functionalities into different molecules, making it an important intermediate in various chemical processes.
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1. Names and Identifiers

: 1.1 Name; 3-Amino-2-pyridinecarboxylic acid; 1.2 Synonyms; 2-Pyridinecarboxylic acid, 3-amino- 2-Pyridinecarboxylic acid, 3-amino-, ion(1-) 3-Amino-2-carboxypyridine 3-Amino-2-picolinic acid 3-Amino-2-pyridinecarboxylate 3-AMINO-2-PYRIDINECARBOXYLIC ACID 3-amino-2-pyridinecarboxylicaci 3-AMINOPICOLINIC ACID 3-AMINO-PYRIDINE-2-CARBOXYLIC ACID AKOS 92172 H-3APC2-OH IFLAB-BB F2113-0045 Picolinic acid, 3-amino- RARECHEM AQ NN 0176; View all

1.3 CAS No.: 1462-86-8

1.4 CID: 73836

1.5 EINECS(EC#): 215-971-8

1.6 Molecular Formula: C6H6N2O2 (isomer)

1.7 Inchi: InChI=1S/C6H6N2O2/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,7H2,(H,9,10)

1.8 InChIkey: BOOMHTFCWOJWFO-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC(=C(N=C1)C(=O)O)N

1.10 Isomers Smiles: C1=CC(=C(N=C1)C(=O)O)N

2. Properties

2.1 Density: 1.417

2.1 Melting point: 218-220

2.1 Boiling point: 386.6 °C at 760 mmHg

2.1 Refractive index: 1.649

2.1 Flash Point: 187.6 °C

2.1 Precise Quality: 138.04300

2.1 PSA: 76.21000

2.1 logP: 0.94320

2.1 Solubility: Soluble in acetone, ethanol and methanol.

2.2 Appearance: green/brown crystals

2.3 Storage: -20°C Freezer

2.4 Chemical Properties: Green/Brown Crystals

2.5 Color/Form: Yellow to Brown Solid

2.6 pKa: 1.32±0.50(Predicted)

2.7 Water Solubility: Soluble in acetone, ethanol and methanol.

3. Use and Manufacturing

3.1 Usage: 3-Amino-2-pyridinecarboxylic acid is a useful synthetic intermediate. 3-Amino-2-pyridinecarboxylic acid Preparation Products And Raw materials Preparation Products

4. Safety and Handling

4.1 Hazard Codes: Xi

4.1 Risk Statements: 36/37/38

4.1 Safety Statements: 26-37-60

4.1 Hazard Class: IRRITANT

4.1 RTECS: US5175000

4.1 Safety: Hazard Codes of 3-Amino-2-pyridinecarboxylic acid (CAS NO.1462-86-8): Xi
Hazard Note: Irritant

4.2 Specification: 3-Amino-2-pyridinecarboxylic acid , its cas register number is 1462-86-8. It also can be called 3-Aminopyridine-2-carboxylic acid ; 3-Aminopicolinic acid ; and 2-Pyridinecarboxylic acid, 3-amino- .

4.3 Toxicity

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LDLo	intraperitoneal	300mg/kg (300mg/kg)	ENDOCRINE: HYPOGLYCEMIA	Journal of Medicinal Chemistry. Vol. 17, Pg. 1065, 1974.

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Synthesis Route

1462-86-8Total: 5 Synthesis Route

89-00-9 297 Suppliers

1462-86-8 131 Suppliers

Literatures:
Bioorganic and Medicinal Chemistry, , vol. 9, # 8 p. 2061 - 2071
Yield: null

699-98-9 98 Suppliers

1462-86-8 131 Suppliers

Literatures:
Journal of Medicinal Chemistry, , vol. 32, # 9 p. 2116 - 2128
Yield: null

4664-00-0 30 Suppliers

1462-86-8 131 Suppliers

Literatures:
Zhou, Zhang-Lin; Navratil, James M.; Cai, Sui Xiong; Whittemore, Edward R.; Espitia, Stephen A.; Hawkinson, Jon E.; Tran, Minhtam; Woodward, Richard M.; Weber, Eckard; Keana, John F.W. Bioorganic and Medicinal Chemistry, 2001 , vol. 9, # 8 p. 2061 - 2071
Yield: ~9%

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7. Precursor and Product

precursor:

59290-85-6

4664-00-0

4663-94-9

89-00-9

699-98-9

product :

462-08-8

39642-60-9

569688-00-2

27507-15-9

51674-77-2

50608-99-6

61319-84-4

6602-52-4

114080-95-4

37538-68-4

3303-28-4

655244-89-6

52378-63-9

36052-27-4

874-24-8

73841-32-4

1260663-38-4

626-60-8

254-80-8

37538-67-3

57266-69-0

28033-08-1

14623-54-2

39551-54-7

1657-34-7

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8. Other Information

8.0 Chemical Properties: Green/Brown Crystals

8.1 Uses: A useful synthetic intermediate

8.2 Usage: Employed as an important intermediate for syntheses material and pharmaceutical.

9. Computational chemical data

Molecular Weight: 138.12404g/mol
Molecular Formula: C₆H₆N₂O₂
Compound Is Canonicalized: True
XLogP3-AA: 0.6
Exact Mass: 138.042927438
Monoisotopic Mass: 138.042927438
Complexity: 138
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 76.2
Heavy Atom Count: 10
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYBjMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAQCAAACAjBlgQ8yJJIEgCoATT3TASCgCA3EiAI2CG4fNgKZvrAlbGUcYhm0AHY2UeYSAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10. Question & Answer

What are the synthesis and applications of 3-Amino-2-pyridinecarboxylic acid? Oct 11 2021
Basic features 3-Amino-2-pyridinecarboxylic acid (3-Amino-2-pyridinecarboxylic acid) is also known as 3-amino-2-carboxylic acid pyridine and 3-amino-2-pyridinecarboxylic acid. Its molecular formula is..

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3-Amino-2-pyridinecarboxylic acid