Basic information
- Standard SMILES
COC(=O)c1cccc(-c2ccccn2)c1- InChIKey
WSFNTSUFRZCBNQ-UHFFFAOYSA-N- Molecular formula
- C13H11NO2
- Average molar mass
- 213.23 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(pyridin-2-yl)benzoate
- IUPAC
- methyl 3-pyridin-2-ylbenzoate
Names & synonyms
Methyl 3-(pyridin-2-yl)benzoate98061-20-2Methyl 3-pyridin-2-ylbenzoateMFCD068018833-pyridin-2-yl-benzoic acid methyl esterBenzoic acid, 3-(2-pyridinyl)-, methyl estermethyl 3-(2-pyridyl)benzoateSCHEMBL5562975Methyl3-(pyridin-2-yl)benzoateWSFNTSUFRZCBNQ-UHFFFAOYSA-NAKOS004113793BS-18019
Show more names
DB-351912CS-0163076D82799F097699
Database identifiers
- PubChem CID
- 3364101
- Nikkaji
- J2.387.108D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Related reactions
8 records
Compound notes
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