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

• ChemBase ID: 90574
• Molecular Formular: C8H7BrN2
• Molecular Mass: 211.05858
• Monoisotopic Mass: 209.97926023
• SMILES: n12cc(cc(c1ncc2)Br)C
• Canonical SMILES: Cc1cc(Br)c2n(c1)ccn2
• InChI: InChI=1S/C8H7BrN2/c1-6-4-7(9)8-10-2-3-11(8)5-6/h2-5H,1H3
• InChIKey: IEXMXPBKRWDOBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-6-methylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 8-bromo-6-methylimidazo[1,2-a]pyridine
• Synonyms: 8-Bromo-6-methylimidazo[1,2-a]pyridine 98%

Database IDs

• CAS Number: 136117-93-6
• MDL Number: MFCD09258770
• PubChem SID: 162077371
• PubChem CID: 15098896

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4755455
• LogD (pH = 7.4): 2.0227454
• Log P: 2.0417235
• Molar Refractivity: 48.6004 cm^3
• Polarizability: 17.870787 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant