2-bromo-7-chloroimidazo[1,2-a]pyridine

• ChemBase ID: 289621
• Molecular Formular: C7H4BrClN2
• Molecular Mass: 231.47706
• Monoisotopic Mass: 229.92463782
• SMILES: Clc1cc2nc(Br)cn2cc1
• Canonical SMILES: Clc1ccn2c(c1)nc(c2)Br
• InChI: InChI=1S/C7H4BrClN2/c8-6-4-11-2-1-5(9)3-7(11)10-6/h1-4H
• InChIKey: DKPBAWAFMKICQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-7-chloroimidazo[1,2-a]pyridine
• IUPAC Traditional name: 2-bromo-7-chloroimidazo[1,2-a]pyridine
• Synonyms: 2-Bromo-7-chloroimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 1260825-69-1
• PubChem SID: 180675152
• PubChem CID: 57345882

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3069863
• LogD (pH = 7.4): 2.3374653
• Log P: 2.3378687
• Molar Refractivity: 49.2062 cm^3
• Polarizability: 18.171427 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%