Basic information
- Standard SMILES
COC(=O)c1ccc(-c2cc(Cl)ccc2C)cn1- InChIKey
XBYXYYVELQLQEU-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO2
- Average molar mass
- 261.7 g/mol
Names & identifiers
- Preferred name
- Methyl 5-(5-chloro-2-methylphenyl)picolinate
- IUPAC
- methyl 5-(5-chloro-2-methylphenyl)pyridine-2-carboxylate
Names & synonyms
Methyl 5-(5-chloro-2-methylphenyl)picolinate1415129-66-62-Pyridinecarboxylic acid, 5-(5-chloro-2-methylphenyl)-, methyl esterSCHEMBL14055208XBYXYYVELQLQEU-UHFFFAOYSA-NMethyl5-(5-chloro-2-methylphenyl)picolinate
Database identifiers
- PubChem CID
- 71060066
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 298
Related reactions
2 records
Compound notes
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