2-ethenyl-5-methylpyridine

• ChemBase ID: 237469
• Molecular Formular: C8H9N
• Molecular Mass: 119.16376
• Monoisotopic Mass: 119.07349929
• SMILES: n1c(C=C)ccc(c1)C
• Canonical SMILES: C=Cc1ccc(cn1)C
• InChI: InChI=1S/C8H9N/c1-3-8-5-4-7(2)6-9-8/h3-6H,1H2,2H3
• InChIKey: LCFYCLRCIJDYQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethenyl-5-methylpyridine
• IUPAC Traditional name: 2-ethenyl-5-methylpyridine
• Synonyms: 2-ethenyl-5-methylpyridine

Database IDs

• MDL Number: MFCD08703184
• PubChem SID: 164293379
• PubChem CID: 12503355

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.048651
• LogD (pH = 7.4): 2.2362928
• Log P: 2.239358
• Molar Refractivity: 38.1815 cm^3
• Polarizability: 14.749412 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.868

Product Information

• Purity: 95%