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

• ChemBase ID: 61637
• Molecular Formular: C7H4ClIN2
• Molecular Mass: 278.47753
• Monoisotopic Mass: 277.91077382
• SMILES: c1(c2n(ccc1Cl)ccn2)I
• Canonical SMILES: Clc1ccn2c(c1I)ncc2
• InChI: InChI=1S/C7H4ClIN2/c8-5-1-3-11-4-2-10-7(11)6(5)9/h1-4H
• InChIKey: VFZAVDXIBMULKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-8-iodoimidazo[1,2-a]pyridine
• IUPAC Traditional name: 7-chloro-8-iodoimidazo[1,2-a]pyridine
• Synonyms: 7-Chloro-8-iodoimidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD19982790
• PubChem SID: 162027378
• PubChem CID: 56773851

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• LogD (pH = 7.4): 2.2865179
• Log P: 2.2925386
• Molar Refractivity: 54.1037 cm^3
• Polarizability: 20.51701 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9899218

PROPERTIES

Physical Property

• Melting Point: 146 - 148 °C; 146-148°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%