2-bromo-4-ethenylpyridine

• ChemBase ID: 292427
• Molecular Formular: C7H6BrN
• Molecular Mass: 184.03324
• Monoisotopic Mass: 182.9683612
• SMILES: Brc1nccc(C=C)c1
• Canonical SMILES: C=Cc1ccnc(c1)Br
• InChI: InChI=1S/C7H6BrN/c1-2-6-3-4-9-7(8)5-6/h2-5H,1H2
• InChIKey: OHAOVNXYYOWZJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-ethenylpyridine
• IUPAC Traditional name: 2-bromo-4-ethenylpyridine
• Synonyms: 2-Bromo-4-vinylpyridine

Database IDs

• CAS Number: 697300-78-0
• PubChem SID: 180677958
• PubChem CID: 17883595

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4664495
• LogD (pH = 7.4): 2.466549
• Log P: 2.46655
• Molar Refractivity: 42.0524 cm^3
• Polarizability: 15.761732 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%