Basic information
- Standard SMILES
O=C(O)c1cccnc1Cc1ccccc1- InChIKey
NZAKDNQAIWGNOG-UHFFFAOYSA-N- Molecular formula
- C13H11NO2
- Average molar mass
- 213.23 g/mol
Names & identifiers
- Preferred name
- 2-Benzylnicotinic acid
- IUPAC
- 2-benzylpyridine-3-carboxylic acid
Names & synonyms
2-benzylnicotinic acidSCHEMBL258223NZAKDNQAIWGNOG-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 12428733
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Related reactions
1 records
Compound notes
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