4-[2-(naphthalen-1-yl)ethenyl]pyridine

• ChemBase ID: 128552
• Molecular Formular: C17H13N
• Molecular Mass: 231.29182
• Monoisotopic Mass: 231.10479942
• SMILES: c1ccc2c(c1)cccc2/C=C/c1ccncc1
• Canonical SMILES: n1ccc(cc1)/C=C/c1cccc2c1cccc2
• InChI: InChI=1S/C17H13N/c1-2-7-17-15(4-1)5-3-6-16(17)9-8-14-10-12-18-13-11-14/h1-13H
• InChIKey: FLKDRTOVVLNOLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(naphthalen-1-yl)ethenyl]pyridine
• IUPAC Traditional name: 4-[2-(naphthalen-1-yl)ethenyl]pyridine
• Synonyms: Naphthylvinylpyridine

Database IDs

• CAS Number: 16375-56-7
• PubChem SID: 162222859
• PubChem CID: 5475238
• Wikipedia Title: Naphthylvinylpyridine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9031155
• LogD (pH = 7.4): 4.081881
• Log P: 4.0848913
• Molar Refractivity: 75.8061 cm^3
• Polarizability: 30.344784 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true