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

• ChemBase ID: 63905
• Molecular Formular: C8H7BrN2
• Molecular Mass: 211.05858
• Monoisotopic Mass: 209.97926023
• SMILES: n12c(ncc2C)cccc1Br
• Canonical SMILES: Cc1cnc2n1c(Br)ccc2
• InChI: InChI=1S/C8H7BrN2/c1-6-5-10-8-4-2-3-7(9)11(6)8/h2-5H,1H3
• InChIKey: BLPMWJDXOIVLQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-methylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 5-bromo-3-methylimidazo[1,2-a]pyridine
• Synonyms: 5-Bromo-3-methylimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 4926-54-9
• MDL Number: MFCD10699210
• PubChem SID: 162029644
• PubChem CID: 12637722

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.48809928
• LogD (pH = 7.4): 1.3060813
• Log P: 1.4282188
• Molar Refractivity: 48.4909 cm^3
• Polarizability: 17.902723 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%