Basic information
- Standard SMILES
O=C(O)c1cncc(C(=O)OCc2ccccc2)c1- InChIKey
HAKNEAWSRQVZJI-UHFFFAOYSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
Names & identifiers
- Preferred name
- 5-[(Benzyloxy)carbonyl]nicotinic acid
- IUPAC
- 5-phenylmethoxycarbonylpyridine-3-carboxylic acid
Names & synonyms
SCHEMBL1243761HAKNEAWSRQVZJI-UHFFFAOYSA-N5-[(benzyloxy)carbonyl]nicotinic acid
Database identifiers
- PubChem CID
- 57444544
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Related reactions
3 records
Compound notes
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