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

• ChemBase ID: 237396
• Molecular Formular: C8H6BrIN2
• Molecular Mass: 336.95511
• Monoisotopic Mass: 335.8759082
• SMILES: n12c(nc(c1)C)c(cc(c2)Br)I
• Canonical SMILES: Brc1cc(I)c2n(c1)cc(n2)C
• InChI: InChI=1S/C8H6BrIN2/c1-5-3-12-4-6(9)2-7(10)8(12)11-5/h2-4H,1H3
• InChIKey: ZTPQJTYRQYARJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22391931
• PubChem SID: 164293306
• PubChem CID: 71755923

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.208473
• LogD (pH = 7.4): 2.5807092
• Log P: 2.5886166
• Molar Refractivity: 61.5132 cm^3
• Polarizability: 23.327213 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.675

Product Information

• Purity: 95%