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

• ChemBase ID: 87307
• Molecular Formular: C7H4BrClN2
• Molecular Mass: 231.47706
• Monoisotopic Mass: 229.92463782
• SMILES: n1c2n(c(c1Br)Cl)cccc2
• Canonical SMILES: Clc1c(Br)nc2n1cccc2
• InChI: InChI=1S/C7H4BrClN2/c8-6-7(9)11-4-2-1-3-5(11)10-6/h1-4H
• InChIKey: SRNJQIHHMIDFQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11869753
• PubChem SID: 162074416
• PubChem CID: 44119205

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.048816
• LogD (pH = 7.4): 2.052828
• Log P: 2.0528793
• Molar Refractivity: 49.2073 cm^3
• Polarizability: 18.202955 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant