Basic information
- Standard SMILES
COC(=O)c1cccc(-c2ccnc(C)c2)c1- InChIKey
PXVFRKDJZJDKIA-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
Names & identifiers
- Preferred name
- 3-(2-Methyl-pyridin-4-yl)-benzoic acid methyl ester
- IUPAC
- methyl 3-(2-methyl-4-pyridinyl)benzoate
Names & synonyms
579475-00-6SCHEMBL5562183PXVFRKDJZJDKIA-UHFFFAOYSA-Nmethyl 3-(2-methylpyridin-4-yl)benzoateDB-1985003-(2-methyl-pyridin-4-yl)-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 69489145
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Related reactions
4 records
Compound notes
Loading…