Chemical Component Summary

Namebenzyl pyridine-3-carboxylate
SynonymsBenzyl nicotinate
Identifiers(phenylmethyl) pyridine-3-carboxylate
FormulaC13 H11 N O2
Molecular Weight213.232
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)COC(=O)c2cccnc2
InChIInChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyKVYGGMBOZFWZBQ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count28
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB15764 
NameBenzyl nicotinate
Groups experimental
Synonyms
  • Benzyl nicotinate
  • Phenylmethyl 3-pyridinecarboxylate
  • Nicotinic acid benzyl ester
CategoriesPyridines
CAS number94-44-0

Related Resource References

Resource NameReference
PubChem 7191
ChEMBL CHEMBL209744
ChEBI CHEBI:31268
CCDC/CSD PAQPAA