2-(Pyridin-2-ylmethylcarbamoyl)benzoic acid
Basic information
- CAS
58624-37-6- Standard SMILES
O=C(O)c1ccccc1C(=O)NCc1ccccn1- InChIKey
ZOKKWZQOWIPQKT-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479225
Names & identifiers
- Preferred name
- 2-(Pyridin-2-ylmethylcarbamoyl)benzoic acid
- IUPAC
- 2-(pyridin-2-ylmethylcarbamoyl)benzoic acid
Names & synonyms
58624-37-62-(pyridin-2-ylmethylcarbamoyl)benzoic acidNSC241613SCHEMBL11829949DTXSID50311355AKOS005887279NSC-2416132-{[(Pyridin-2-yl)methyl]carbamoyl}benzoic acid
Database identifiers
- CAS
58624-37-6- PubChem CID
- 315799
- DTXSID
DTXSID50311355
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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