Basic information
- Standard SMILES
COC(=O)c1cccc(-c2cccnc2C)c1- InChIKey
QDWVBIOMVCNXCM-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Names & identifiers
- Preferred name
- 3-(2-Methyl-pyridin-3-yl)-benzoic acid methyl ester
- IUPAC
- methyl 3-(2-methyl-3-pyridinyl)benzoate
Names & synonyms
579474-77-4SCHEMBL5558505QDWVBIOMVCNXCM-UHFFFAOYSA-NMethyl 3-(2-methyl-3-pyridinyl)benzoatemethyl 3-(2-methylpyridin-3-yl)benzoateDB-1984993-(2-methyl-pyridin-3-yl)-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 69487181
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
1 records
Compound notes
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