5-bromo-2-ethenylpyridine

• ChemBase ID: 292426
• Molecular Formular: C7H6BrN
• Molecular Mass: 184.03324
• Monoisotopic Mass: 182.9683612
• SMILES: Brc1cnc(C=C)cc1
• Canonical SMILES: C=Cc1ccc(cn1)Br
• InChI: InChI=1S/C7H6BrN/c1-2-7-4-3-6(8)5-9-7/h2-5H,1H2
• InChIKey: OQSIJBZWAMCSTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-ethenylpyridine
• IUPAC Traditional name: 5-bromo-2-ethenylpyridine
• Synonyms: 5-Bromo-2-vinylpyridine

Database IDs

• CAS Number: 226883-52-9
• PubChem SID: 180677957
• PubChem CID: 21134411

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4928403
• LogD (pH = 7.4): 2.4946659
• Log P: 2.4946892
• Molar Refractivity: 40.7631 cm^3
• Polarizability: 15.715293 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%