2-bromo-6-ethenylpyridine

• ChemBase ID: 294710
• Molecular Formular: C7H6BrN
• Molecular Mass: 184.03324
• Monoisotopic Mass: 182.9683612
• SMILES: Brc1nc(C=C)ccc1
• Canonical SMILES: C=Cc1cccc(n1)Br
• InChI: InChI=1S/C7H6BrN/c1-2-6-4-3-5-7(8)9-6/h2-5H,1H2
• InChIKey: DACJHPBNJLHAGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-ethenylpyridine
• IUPAC Traditional name: 2-bromo-6-ethenylpyridine
• Synonyms: 2-Bromo-6-vinylpyridine

Database IDs

• CAS Number: 931582-13-7
• PubChem SID: 180680241
• PubChem CID: 25107602

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7001874
• LogD (pH = 7.4): 2.7002108
• Log P: 2.7002113
• Molar Refractivity: 41.6053 cm^3
• Polarizability: 15.765 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%