6-chloro-8-iodoimidazo[1,2-a]pyridine

• ChemBase ID: 43298
• Molecular Formular: C7H4ClIN2
• Molecular Mass: 278.47753
• Monoisotopic Mass: 277.91077382
• SMILES: n12c(c(cc(c1)Cl)I)ncc2
• Canonical SMILES: Clc1cc(I)c2n(c1)ccn2
• InChI: InChI=1S/C7H4ClIN2/c8-5-3-6(9)7-10-1-2-11(7)4-5/h1-4H
• InChIKey: LQBOHSOOZOQOTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-8-iodoimidazo[1,2-a]pyridine
• IUPAC Traditional name: 6-chloro-8-iodoimidazo[1,2-a]pyridine
• Synonyms: 6-Chloro-8-iodoimidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD10758078
• PubChem SID: 162048061
• PubChem CID: 25919007

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8757976
• LogD (pH = 7.4): 2.282343
• Log P: 2.2925386
• Molar Refractivity: 54.1037 cm^3
• Polarizability: 20.496384 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142 - 143 °C; 142-143°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%