Basic information
- Standard SMILES
Cc1ccc(C(=O)O)nc1-c1cccc(Cl)c1- InChIKey
NMLRAHYTSSEOHX-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO2
- Average molar mass
- 247.67 g/mol
- Monoisotopic mass
- 247.0400063
Names & identifiers
- Preferred name
- 6-(3-Chloro-phenyl)-5-methyl-pyridine-2-carboxylic acid
- IUPAC
- 6-(3-chlorophenyl)-5-methylpyridine-2-carboxylic acid
Names & synonyms
SCHEMBL14152580NMLRAHYTSSEOHX-UHFFFAOYSA-N6-(3-Chloro-phenyl)-5-methyl-pyridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 71087802
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Related reactions
18 records
Compound notes
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