2-ethenyl-4-methoxypyridine

• ChemBase ID: 292430
• Molecular Formular: C8H9NO
• Molecular Mass: 135.16316
• Monoisotopic Mass: 135.06841391
• SMILES: COc1cc(C=C)ncc1
• Canonical SMILES: COc1ccnc(c1)C=C
• InChI: InChI=1S/C8H9NO/c1-3-7-6-8(10-2)4-5-9-7/h3-6H,1H2,2H3
• InChIKey: JDCZVPGVCBQBDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethenyl-4-methoxypyridine
• IUPAC Traditional name: 2-ethenyl-4-methoxypyridine
• Synonyms: 4-Methoxy-2-vinylpyridine

Database IDs

• CAS Number: 30566-80-4
• PubChem SID: 180677961
• PubChem CID: 18689411

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.76679456
• LogD (pH = 7.4): 1.5335668
• Log P: 1.5682653
• Molar Refractivity: 39.6035 cm^3
• Polarizability: 15.4650545 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%