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==
5. Recommended Suppliers
-
- Products:3-Fluoro-isonicotinic acid,Osmium tetroxide,Mafenide Hcl,3-Bromopentane,2-Phenylacetoacetonitrile,OSMIUM
- Tel:86-755-33239182
6. Realated Product Infomation