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

• ChemBase ID: 78511
• Molecular Formular: C8H7BrN2
• Molecular Mass: 211.05858
• Monoisotopic Mass: 209.97926023
• SMILES: n12ccc(cc1ncc2Br)C
• Canonical SMILES: Cc1ccn2c(c1)ncc2Br
• InChI: InChI=1S/C8H7BrN2/c1-6-2-3-11-7(9)5-10-8(11)4-6/h2-5H,1H3
• InChIKey: VLFVKNYEPJOABL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 56051-32-2
• MDL Number: MFCD08056208
• PubChem SID: 162043277
• PubChem CID: 16740476

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4676617
• LogD (pH = 7.4): 1.7368733
• Log P: 1.7420789
• Molar Refractivity: 48.3824 cm^3
• Polarizability: 17.908144 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic