Basic information
- Standard SMILES
O=C(O)C1C=CC=NC1=O- InChIKey
KHWGRLRCZSYJNT-UHFFFAOYSA-N- Molecular formula
- C6H5NO3
- Average molar mass
- 139.11 g/mol
- Monoisotopic mass
- 139.02694302
Names & identifiers
- Preferred name
- 2-Oxo-2,3-dihydropyridine-3-carboxylic acid
- IUPAC
- 2-oxo-3H-pyridine-3-carboxylic acid
Names & synonyms
1314901-45-52-Oxo-2,3-dihydropyridine-3-carboxylic acid2-Oxo-2,3-dihydropyridine-3-carboxylicacidMFCD19230955oxonicotinic acid2-oxonicotinic acidSCHEMBL11369134KHWGRLRCZSYJNT-UHFFFAOYSA-N2-oxo-3H-pyridine-3-carboxylic acidAKOS006381865CS-0161300
Database identifiers
- PubChem CID
- 21995586
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 229
Related reactions
3 records
Compound notes
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