Benzyl Nicotinate

Benzyl Nicotinate is a chemical compound registered under number CAS 94-44-0, with the molecular formula C₁₃H₁₁NO₂, and a molar mass of 213.23 g/mol.

The molecule contains 27 atoms connected by 28 chemical bonds. The full systematic IUPAC name of this compound is benzyl pyridine-3-carboxylate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2.4 (positive value, a lipophilic compound), polar surface area PSA = 39.2 Ų, 0 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Molecular formula	C13H11NO2
Masa molowa	213.23 g/mol
IUPAC	benzyl pyridine-3-carboxylate
SMILES	C1=CC=C(C=C1)COC(=O)C2=CN=CC=C2
InChIKey	KVYGGMBOZFWZBQ-UHFFFAOYSA-N
logP (XLogP3)	2.4
PSA	39.2 Ų
HBD / HBA	0 / 3
PubChem CID	CID 7191 ↗

Signal word: Warning

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

Benzyl nicotinate · 94-44-0 · Nicotinic acid benzyl ester · Benzyl pyridine-3-carboxylate · Rubriment · Pycaril · Pykaryl · 3-Pyridinecarboxylic acid, phenylmethyl ester · Phenylmethyl 3-pyridinecarboxylate · S497LCF9C9 · Pyridine-3-carboxylic acid benzyl ester · DTXCID5026542 · CHEBI:31268 · RefChem:118888 · 202-332-3

• 📊 PubChem CID 7191 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność