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6-AMINO-5-HYDROXY-2-PYRIDINECARBOXYLIC ACID structure
6-AMINO-5-HYDROXY-2-PYRIDINECARBOXYLIC ACID structure

6-AMINO-5-HYDROXY-2-PYRIDINECARBOXYLIC ACID

Iupac Name:6-amino-5-hydroxypyridine-2-carboxylic acid
CAS No.: 61548-53-6
Molecular Weight:154.12
Modify Date.: 2022-11-23 03:56
1. Names and Identifiers
1.1 Name
6-AMINO-5-HYDROXY-2-PYRIDINECARBOXYLIC ACID
1.2 Synonyms

2-Pyridinecarboxylic acid, 6-amino-5-hydroxy- 6-aMino-5-hydroxypicolinic acid 6-amino-5-hydroxy-pyridine-2-carboxylic acid

1.3 CAS No.
61548-53-6
1.4 CID
12318941
1.5 Molecular Formula
C6H6N2O3 (isomer)
1.6 Inchi
InChI=1S/C6H6N2O3/c7-5-4(9)2-1-3(8-5)6(10)11/h1-2,9H,(H2,7,8)(H,10,11)
1.7 InChIkey
RQGZPPDRBLARLZ-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC(=NC(=C1O)N)C(=O)O
1.9 Isomers Smiles
C1=CC(=NC(=C1O)N)C(=O)O
2. Properties
2.1 Density
1.607
2.1 Melting point
224 °C
2.1 Boiling point
545.642°C at 760 mmHg
2.1 Refractive index
1.708
2.1 Flash Point
283.794°C
2.1 PSA
96.44000
2.1 logP
0.64880
2.1 pKa
1.52±0.50(Predicted)
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

4. Computational chemical data
  • Molecular Weight: 154.12g/mol
  • Molecular Formula: C6H6N2O3
  • Compound Is Canonicalized: True
  • XLogP3-AA: 0
  • Exact Mass: 154.03784206
  • Monoisotopic Mass: 154.03784206
  • Complexity: 162
  • Rotatable Bond Count: 1
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Topological Polar Surface Area: 96.4
  • Heavy Atom Count: 11
  • 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: AAADcYBjMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAQCAAACAyBlgAxvpJIEgCoASbybASCgCknYiAImCG3bNiKJvLSlLOEcQhkwBPY2ae4bARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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6-Amino-5-hydroxypicolinicacid
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