3-bromo-2-phenylimidazo[1,2-a]pyridine

• ChemBase ID: 82062
• Molecular Formular: C13H9BrN2
• Molecular Mass: 273.12796
• Monoisotopic Mass: 271.9949103
• SMILES: n12c(c(c3ccccc3)nc1cccc2)Br
• Canonical SMILES: Brc1c(nc2n1cccc2)c1ccccc1
• InChI: InChI=1S/C13H9BrN2/c14-13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13/h1-9H
• InChIKey: HVPPJXIGEZYEGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-phenylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 3-bromo-2-phenylimidazo[1,2-a]pyridine
• Synonyms: 3-Bromo-2-phenylimidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD00722629
• PubChem SID: 162069181
• PubChem CID: 811913

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2149408
• LogD (pH = 7.4): 3.2611096
• Log P: 3.2617333
• Molar Refractivity: 68.1054 cm^3
• Polarizability: 26.945282 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant