3-bromo-2-ethenylpyridine

• ChemBase ID: 292425
• Molecular Formular: C7H6BrN
• Molecular Mass: 184.03324
• Monoisotopic Mass: 182.9683612
• SMILES: Brc1cccnc1C=C
• Canonical SMILES: C=Cc1ncccc1Br
• InChI: InChI=1S/C7H6BrN/c1-2-7-6(8)4-3-5-9-7/h2-5H,1H2
• InChIKey: DOCFMUXZWGZPIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-ethenylpyridine
• IUPAC Traditional name: 3-bromo-2-ethenylpyridine
• Synonyms: 3-Bromo-2-vinylpyridine

Database IDs

• CAS Number: 799246-56-3
• PubChem SID: 180677956
• PubChem CID: 56590789

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4911468
• LogD (pH = 7.4): 2.4946444
• Log P: 2.4946892
• Molar Refractivity: 40.7631 cm^3
• Polarizability: 15.717591 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%