2-bromo-6-{6-chloroimidazo[1,2-a]pyridin-3-yl}pyridine

• ChemBase ID: 287955
• Molecular Formular: C12H7BrClN3
• Molecular Mass: 308.56108
• Monoisotopic Mass: 306.95118692
• SMILES: Clc1cn2c(cc1)ncc2c1nc(Br)ccc1
• Canonical SMILES: Brc1cccc(n1)c1cnc2n1cc(Cl)cc2
• InChI: InChI=1S/C12H7BrClN3/c13-11-3-1-2-9(16-11)10-6-15-12-5-4-8(14)7-17(10)12/h1-7H
• InChIKey: HERAKKWSDPDIEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-{6-chloroimidazo[1,2-a]pyridin-3-yl}pyridine
• IUPAC Traditional name: 2-bromo-6-{6-chloroimidazo[1,2-a]pyridin-3-yl}pyridine
• Synonyms: 3-(6-Bromopyridin-2-yl)-6-chloroimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 1044733-65-4
• MDL Number: MFCD14706831
• PubChem SID: 180673486
• PubChem CID: 70700368

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7908032
• LogD (pH = 7.4): 3.067842
• Log P: 3.0732732
• Molar Refractivity: 71.691 cm^3
• Polarizability: 28.004793 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%