Basic information
- Standard SMILES
O=C(O)c1ccc(C2CCCC2)c(-c2cccc(Cl)c2)n1- InChIKey
LQLGRHZOCBRLTH-UHFFFAOYSA-N- Molecular formula
- C17H16ClNO2
- Average molar mass
- 301.8 g/mol
Names & identifiers
- Preferred name
- 6-(3-Chloro-phenyl)-5-cyclopentyl-pyridine-2-carboxylic acid
- IUPAC
- 6-(3-chlorophenyl)-5-cyclopentylpyridine-2-carboxylic acid
Names & synonyms
SCHEMBL14152140LQLGRHZOCBRLTH-UHFFFAOYSA-N6-(3-Chloro-phenyl)-5-cyclopentyl-pyridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 71087552
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Related reactions
8 records
Compound notes
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