6-chloro-3-iodoimidazo[1,2-a]pyridine

• ChemBase ID: 65196
• Molecular Formular: C7H4ClIN2
• Molecular Mass: 278.47753
• Monoisotopic Mass: 277.91077382
• SMILES: c1c(cn2c(c1)ncc2I)Cl
• Canonical SMILES: Clc1ccc2n(c1)c(I)cn2
• InChI: InChI=1S/C7H4ClIN2/c8-5-1-2-7-10-3-6(9)11(7)4-5/h1-4H
• InChIKey: IHTZNIKMBKFWHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-iodoimidazo[1,2-a]pyridine
• IUPAC Traditional name: 6-chloro-3-iodoimidazo[1,2-a]pyridine
• Synonyms: 6-Chloro-3-iodoimidazo[1,2-a]pyridine; 6-Chloro-3-iodoimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 885275-59-2
• MDL Number: MFCD06739217
• PubChem SID: 162030935
• PubChem CID: 45790043

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2221053
• LogD (pH = 7.4): 2.501083
• Log P: 2.5064538
• Molar Refractivity: 52.4026 cm^3
• Polarizability: 20.550095 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

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-P501

Product Information

• Purity: 95%