6-(4-Chlorophenyl)-2-methyl-3-pyridinecarboxylic acid methyl ester
Basic information
- CAS
717838-41-0- Standard SMILES
COC(=O)c1ccc(-c2ccc(Cl)cc2)nc1C- InChIKey
OOEFUVBZCSVRNB-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO2
- Average molar mass
- 261.7 g/mol
- Monoisotopic mass
- 261.0556563
Overview
6-(4-chlorophenyl)-2-methyl-3-pyridinecarboxylic acid methyl ester is a phenylpyridine.
Names & identifiers
- Preferred name
- 6-(4-Chlorophenyl)-2-methyl-3-pyridinecarboxylic acid methyl ester
- IUPAC
- methyl 6-(4-chlorophenyl)-2-methylpyridine-3-carboxylate
Names & synonyms
methyl 6-(4-chlorophenyl)-2-methylnicotinatemethyl 6-(4-chlorophenyl)-2-methylpyridine-3-carboxylate717838-41-06-(4-chlorophenyl)-2-methyl-3-pyridinecarboxylic acid methyl esterMLS000699471Methyl 6-(4-chlorophenyl)-2-methyl-3-pyridinecarboxylateSMR000225902cid_822962CHEMBL1332600SCHEMBL29419188BDBM49685CHEBI:112681
Show more names
DTXSID501202294HMS2583O22AKOS015866984ST51038764AG-401/42873868Q271927946-(4-chlorophenyl)-2-methyl-nicotinic acid methyl estermethyl 6-(4-chlorophenyl)-2-methyl-pyridine-3-carboxylate
Database identifiers
- CAS
717838-41-0- PubChem CID
- 822962
- DTXSID
DTXSID501202294- ChEMBL
CHEMBL1332600- ChEBI
CHEBI:112681
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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