2-bromo-6-(1H-imidazol-1-yl)pyridine

• ChemBase ID: 806727
• Molecular Formular: C8H6BrN3
• Molecular Mass: 224.05734
• Monoisotopic Mass: 222.97450921
• SMILES: n1c(cccc1n1cncc1)Br
• Canonical SMILES: Brc1cccc(n1)n1cncc1
• InChI: InChI=1S/C8H6BrN3/c9-7-2-1-3-8(11-7)12-5-4-10-6-12/h1-6H
• InChIKey: WVRRNPCZPYDPPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(1H-imidazol-1-yl)pyridine
• IUPAC Traditional name: 2-bromo-6-(imidazol-1-yl)pyridine
• Synonyms: 2-BROMO-6-IMIDAZOL-1-YL-PYRIDINE

Database IDs

• CAS Number: 463336-62-1

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6450527
• LogD (pH = 7.4): 2.0636997
• Log P: 2.08747
• Molar Refractivity: 60.628 cm^3
• Polarizability: 18.740995 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 1

PROPERTIES

Product Information

• Purity: 98%