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

• ChemBase ID: 63908
• Molecular Formular: C8H7BrN2
• Molecular Mass: 211.05858
• Monoisotopic Mass: 209.97926023
• SMILES: n12c(nc(c2)C)cccc1Br
• Canonical SMILES: Cc1cn2c(n1)cccc2Br
• InChI: InChI=1S/C8H7BrN2/c1-6-5-11-7(9)3-2-4-8(11)10-6/h2-5H,1H3
• InChIKey: MWCDNYHSYJDDJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 74420-51-2
• MDL Number: MFCD10699211
• PubChem SID: 162029647
• PubChem CID: 12637728

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.5253008
• LogD (pH = 7.4): 1.3231525
• Log P: 1.3600277
• Molar Refractivity: 47.9327 cm^3
• Polarizability: 17.905981 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%