7-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine

• ChemBase ID: 64814
• Molecular Formular: C8H6BrClN2
• Molecular Mass: 245.50364
• Monoisotopic Mass: 243.94028788
• SMILES: c1(ccn2c(c1)nc(c2)CCl)Br
• Canonical SMILES: ClCc1cn2c(n1)cc(cc2)Br
• InChI: InChI=1S/C8H6BrClN2/c9-6-1-2-12-5-7(4-10)11-8(12)3-6/h1-3,5H,4H2
• InChIKey: TVUSHKLKIHWGLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine
• IUPAC Traditional name: 7-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine
• Synonyms: 7-Bromo-2-chloromethylimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 1019023-07-4
• MDL Number: MFCD09995266
• PubChem SID: 162030553
• PubChem CID: 44118312

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8020996
• LogD (pH = 7.4): 2.188623
• Log P: 2.197016
• Molar Refractivity: 52.9039 cm^3
• Polarizability: 19.858547 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 96%