2-ethenyl-4-methylpyridine

• ChemBase ID: 292429
• Molecular Formular: C8H9N
• Molecular Mass: 119.16376
• Monoisotopic Mass: 119.07349929
• SMILES: Cc1cc(C=C)ncc1
• Canonical SMILES: Cc1cc(C=C)ncc1
• InChI: InChI=1S/C8H9N/c1-3-8-6-7(2)4-5-9-8/h3-6H,1H2,2H3
• InChIKey: WVNIWWGCVMYYJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethenyl-4-methylpyridine
• IUPAC Traditional name: 2-ethenyl-4-methylpyridine
• Synonyms: 4-Methyl-2-vinylpyridine

Database IDs

• CAS Number: 13959-34-7
• PubChem SID: 180677960
• PubChem CID: 11205741

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8938788
• LogD (pH = 7.4): 2.232461
• Log P: 2.239358
• Molar Refractivity: 38.1815 cm^3
• Polarizability: 14.748163 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%