3-bromo-6-chloroimidazo[1,2-a]pyridine

• ChemBase ID: 293384
• Molecular Formular: C7H4BrClN2
• Molecular Mass: 231.47706
• Monoisotopic Mass: 229.92463782
• SMILES: Clc1cn2c(cc1)ncc2Br
• Canonical SMILES: Clc1ccc2n(c1)c(Br)cn2
• InChI: InChI=1S/C7H4BrClN2/c8-6-3-10-7-2-1-5(9)4-11(6)7/h1-4H
• InChIKey: LIBKDAUSMLPFBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-chloroimidazo[1,2-a]pyridine
• IUPAC Traditional name: 3-bromo-6-chloroimidazo[1,2-a]pyridine
• Synonyms: 3-Bromo-6-chloroimidazo[1,2-a]pyridine; 3-Bromo-6-chloroimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 886371-28-4
• MDL Number: MFCD08667858
• PubChem SID: 180678915
• PubChem CID: 45790042

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5841097
• LogD (pH = 7.4): 1.828183
• Log P: 1.8327022
• Molar Refractivity: 48.146 cm^3
• Polarizability: 18.155258 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105-107°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 95%; 95+%