Basic information
- CAS
166445-46-1- Standard SMILES
Nc1nccc(O)c1C(=O)O- InChIKey
JCXCDJBGYOJBNR-UHFFFAOYSA-N- Molecular formula
- C6H6N2O3
- Average molar mass
- 154.12 g/mol
Names & identifiers
- Preferred name
- 2-Amino-4-hydroxynicotinic acid
- IUPAC
- 2-amino-4-oxo-1H-pyridine-3-carboxylic acid
- English name
- 3-Pyridinecarboxylicacid,2-amino-4-hydroxy-(9CI)
- Molecular formula
- C6H6N2O3
- Molecular weight
- 154.12
Names & synonyms
166445-46-12-amino-4-hydroxynicotinic acid2-amino-4-oxo-1H-pyridine-3-carboxylic acid2-AMINO-4-HYDROXYPYRIDINE-3-CARBOXYLIC ACID3-Pyridinecarboxylicacid,2-amino-4-hydroxy-(9CI)SCHEMBL5355271JCXCDJBGYOJBNR-UHFFFAOYSA-NEN300-3710603-Pyridinecarboxylic acid, 2-amino-4-hydroxy-
Database identifiers
- CAS
166445-46-1
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 549.9 · 549.9±50.0 °C(Predicted)
- Density
- 1.607 · 1.607±0.06 g/cm3(Predicted)
- pka
- 0.37 · 0.37±0.25(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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