6,8-dichloro-3-iodoimidazo[1,2-a]pyridine

• ChemBase ID: 43292
• Molecular Formular: C7H3Cl2IN2
• Molecular Mass: 312.92259
• Monoisotopic Mass: 311.87180147
• SMILES: n12c(ncc1I)c(cc(c2)Cl)Cl
• Canonical SMILES: Clc1cc(Cl)c2n(c1)c(I)cn2
• InChI: InChI=1S/C7H3Cl2IN2/c8-4-1-5(9)7-11-2-6(10)12(7)3-4/h1-3H
• InChIKey: SGUPSXOQJZJCOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dichloro-3-iodoimidazo[1,2-a]pyridine
• IUPAC Traditional name: 6,8-dichloro-3-iodoimidazo[1,2-a]pyridine
• Synonyms: 6,8-Dichloro-3-iodoimidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD10758076
• PubChem SID: 162048055
• PubChem CID: 25918909

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.01909
• LogD (pH = 7.4): 3.0699472
• Log P: 3.070642
• Molar Refractivity: 57.2074 cm^3
• Polarizability: 22.58017 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147 - 150 °C; 147-150°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%