6-bromo-8-chloroimidazo[1,2-a]pyridine

• ChemBase ID: 67741
• Molecular Formular: C7H4BrClN2
• Molecular Mass: 231.47706
• Monoisotopic Mass: 229.92463782
• SMILES: c12c(cc(cn1ccn2)Br)Cl
• Canonical SMILES: Brc1cc(Cl)c2n(c1)ccn2
• InChI: InChI=1S/C7H4BrClN2/c8-5-3-6(9)7-10-1-2-11(7)4-5/h1-4H
• InChIKey: FYUCIRHQXQEOJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-8-chloroimidazo[1,2-a]pyridine
• IUPAC Traditional name: 6-bromo-8-chloroimidazo[1,2-a]pyridine
• Synonyms: 6-Bromo-8-chloroimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 474708-88-8
• MDL Number: MFCD11518983
• PubChem SID: 162033476
• PubChem CID: 22032408

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8070443
• LogD (pH = 7.4): 2.1256156
• Log P: 2.1323466
• Molar Refractivity: 48.364 cm^3
• Polarizability: 18.137306 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%