2-bromo-4-(1H-imidazol-1-yl)pyridine

• ChemBase ID: 810885
• Molecular Formular: C8H6BrN3
• Molecular Mass: 224.05734
• Monoisotopic Mass: 222.97450921
• SMILES: n1c(cc(cc1)n1cncc1)Br
• Canonical SMILES: Brc1nccc(c1)n1cncc1
• InChI: InChI=1S/C8H6BrN3/c9-8-5-7(1-2-11-8)12-4-3-10-6-12/h1-6H
• InChIKey: LCOCZAMFACRLQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-(1H-imidazol-1-yl)pyridine
• IUPAC Traditional name: 2-bromo-4-(imidazol-1-yl)pyridine
• Synonyms: 2-BROMO-4-IMIDAZOL-1-YL-PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9850341
• LogD (pH = 7.4): 1.4601073
• Log P: 1.4930125
• Molar Refractivity: 60.3145 cm^3
• Polarizability: 19.351772 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%