6-bromo-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde

• ChemBase ID: 292015
• Molecular Formular: C9H7BrN2O
• Molecular Mass: 239.06868
• Monoisotopic Mass: 237.97417485
• SMILES: O=Cc1cnc2cc(C)c(Br)cn12
• Canonical SMILES: O=Cc1cnc2n1cc(Br)c(c2)C
• InChI: InChI=1S/C9H7BrN2O/c1-6-2-9-11-3-7(5-13)12(9)4-8(6)10/h2-5H,1H3
• InChIKey: PAHPNWWTCINFQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde
• IUPAC Traditional name: 6-bromo-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde
• Synonyms: 6-Bromo-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde

Database IDs

• CAS Number: 1072944-75-2
• MDL Number: MFCD11504923
• PubChem SID: 180677546
• PubChem CID: 46739170

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5625759
• LogD (pH = 7.4): 1.6725833
• Log P: 1.6742269
• Molar Refractivity: 55.0619 cm^3
• Polarizability: 19.835243 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%