2-(1-bromoethenyl)pyridine

• ChemBase ID: 810666
• Molecular Formular: C7H6BrN
• Molecular Mass: 184.03324
• Monoisotopic Mass: 182.9683612
• SMILES: n1c(cccc1)C(=C)Br
• Canonical SMILES: BrC(=C)c1ccccn1
• InChI: InChI=1S/C7H6BrN/c1-6(8)7-4-2-3-5-9-7/h2-5H,1H2
• InChIKey: CXMDMTPJNHAVGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-bromoethenyl)pyridine
• IUPAC Traditional name: 2-(1-bromoethenyl)pyridine
• Synonyms: 2-(1-BROMOVINYL)PYRIDINE

Database IDs

• CAS Number: 67200-49-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1895735
• LogD (pH = 7.4): 2.1968038
• Log P: 2.1968968
• Molar Refractivity: 40.7496 cm^3
• Polarizability: 15.63563 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%