2-bromoimidazo[1,2-a]pyridine

• ChemBase ID: 67697
• Molecular Formular: C7H5BrN2
• Molecular Mass: 197.032
• Monoisotopic Mass: 195.96361017
• SMILES: c12ccccn1cc(n2)Br
• Canonical SMILES: Brc1nc2n(c1)cccc2
• InChI: InChI=1S/C7H5BrN2/c8-6-5-10-4-2-1-3-7(10)9-6/h1-5H
• InChIKey: GZMVKXPKVWQQLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromoimidazo[1,2-a]pyridine
• IUPAC Traditional name: 2-bromoimidazo[1,2-a]pyridine
• Synonyms: 2-Bromoimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 112581-95-0
• MDL Number: MFCD09834778
• PubChem SID: 162033432
• PubChem CID: 12428957

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6775254
• LogD (pH = 7.4): 1.7330651
• Log P: 1.733824
• Molar Refractivity: 44.4014 cm^3
• Polarizability: 16.17792 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: 95+%