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

• ChemBase ID: 101130
• Molecular Formular: C8H7BrN2
• Molecular Mass: 211.05858
• Monoisotopic Mass: 209.97926023
• SMILES: n12c(c(nc1cccc2)C)Br
• Canonical SMILES: Brc1c(C)nc2n1cccc2
• InChI: InChI=1S/C8H7BrN2/c1-6-8(9)11-5-3-2-4-7(11)10-6/h2-5H,1H3
• InChIKey: QYPXIXIHSALTNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 4805-70-3
• MDL Number: MFCD02251329
• PubChem SID: 162088880
• PubChem CID: 7157366

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1117023
• LogD (pH = 7.4): 1.3557336
• Log P: 1.3600277
• Molar Refractivity: 47.9327 cm^3
• Polarizability: 17.910492 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%