Basic information
- Standard SMILES
Cn1cc(C(=O)O)cc(Cl)c1=O- InChIKey
VXYVQDKECZFHDI-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO3
- Average molar mass
- 187.58 g/mol
- Monoisotopic mass
- 187.0036207
Names & identifiers
- Preferred name
- 5-Chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
- IUPAC
- 5-chloro-1-methyl-6-oxopyridine-3-carboxylic acid
Names & synonyms
677762-31-15-Chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acidMFCD206577445-Chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylicacidAvatrombopag Impurity 1425-chloro-1-methyl-6-oxopyridine-3-carboxylic acidSCHEMBL480184SY514544DB-196395F74012F8670795-chloro-1-methyl-6-oxo-pyridine-3-carboxylic acid
Show more names
5-Chloro-1,6-dihydro-1-methyl-6-oxo-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 5-chloro-1,6-dihydro-1-methyl-6-oxo-5-chloro-1-methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid
Database identifiers
- PubChem CID
- 21885932
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 306
Related reactions
1 records
Compound notes
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