6-chloroimidazo[1,2-a]pyridine

• ChemBase ID: 42243
• Molecular Formular: C7H5ClN2
• Molecular Mass: 152.581
• Monoisotopic Mass: 152.01412585
• SMILES: n12c(ncc2)ccc(c1)Cl
• Canonical SMILES: Clc1ccc2n(c1)ccn2
• InChI: InChI=1S/C7H5ClN2/c8-6-1-2-7-9-3-4-10(7)5-6/h1-5H
• InChIKey: XQEGYCZJSVFGEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 6188-25-6
• MDL Number: MFCD05663807
• PubChem SID: 162047006
• PubChem CID: 2764328

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.55753565
• LogD (pH = 7.4): 1.3091955
• Log P: 1.363594
• Molar Refractivity: 40.7412 cm^3
• Polarizability: 15.168732 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80-82°C; 85 - 87 °C; 85-87°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: >95%; 95+%; 97%