8-bromo-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde

• ChemBase ID: 292011
• Molecular Formular: C8H4BrClN2O
• Molecular Mass: 259.48716
• Monoisotopic Mass: 257.91955244
• SMILES: O=Cc1cnc2c(Br)cc(Cl)cn12
• Canonical SMILES: O=Cc1cnc2n1cc(Cl)cc2Br
• InChI: InChI=1S/C8H4BrClN2O/c9-7-1-5(10)3-12-6(4-13)2-11-8(7)12/h1-4H
• InChIKey: UWNHIZLIAMHTGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde
• IUPAC Traditional name: 8-bromo-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde
• Synonyms: 8-Bromo-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde

Database IDs

• CAS Number: 1093092-63-7
• MDL Number: MFCD11504922
• PubChem SID: 180677542
• PubChem CID: 46739169

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7447989
• LogD (pH = 7.4): 1.7645909
• Log P: 1.7648501
• Molar Refractivity: 54.8255 cm^3
• Polarizability: 20.101294 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%