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

• ChemBase ID: 63907
• Molecular Formular: C8H6BrClN2
• Molecular Mass: 245.50364
• Monoisotopic Mass: 243.94028788
• SMILES: n12c(nc(c1)CCl)ccc(c2)Br
• Canonical SMILES: ClCc1cn2c(n1)ccc(c2)Br
• InChI: InChI=1S/C8H6BrClN2/c9-6-1-2-8-11-7(3-10)5-12(8)4-6/h1-2,4-5H,3H2
• InChIKey: YEXHHHNCGSIJLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine
• IUPAC Traditional name: 6-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine
• Synonyms: 6-Bromo-2-(chloromethyl)imidazo[1,2-a]pyridine; 6-Bromo-2-chloromethylimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 136117-72-1
• MDL Number: MFCD06739243
• PubChem SID: 162029646
• PubChem CID: 11622894

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7008711
• LogD (pH = 7.4): 2.1847427
• Log P: 2.197016
• Molar Refractivity: 52.9039 cm^3
• Polarizability: 19.861397 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 96%