Basic information
- Standard SMILES
COC(=O)c1ccc(C2CC2)c(-c2cccc(Cl)c2)n1- InChIKey
JGZBFYRAQXVPNY-UHFFFAOYSA-N- Molecular formula
- C16H14ClNO2
- Average molar mass
- 287.74 g/mol
Names & identifiers
- Preferred name
- 6-(3-Chloro-phenyl)-5-cyclopropyl-pyridine-2-carboxylic acid methyl ester
- IUPAC
- methyl 6-(3-chlorophenyl)-5-cyclopropylpyridine-2-carboxylate
Names & synonyms
SCHEMBL14152801JGZBFYRAQXVPNY-UHFFFAOYSA-N6-(3-Chloro-phenyl)-5-cyclopropyl-pyridine-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 71087936
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Related reactions
5 records
Compound notes
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