6,8-dichloroimidazo[1,2-a]pyridine

• ChemBase ID: 43261
• Molecular Formular: C7H4Cl2N2
• Molecular Mass: 187.02606
• Monoisotopic Mass: 185.9751535
• SMILES: n12c(c(cc(c1)Cl)Cl)ncc2
• Canonical SMILES: Clc1cc(Cl)c2n(c1)ccn2
• InChI: InChI=1S/C7H4Cl2N2/c8-5-3-6(9)7-10-1-2-11(7)4-5/h1-4H
• InChIKey: ZAHCPJDXWPIZSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dichloroimidazo[1,2-a]pyridine
• IUPAC Traditional name: 6,8-dichloroimidazo[1,2-a]pyridine
• Synonyms: 6,8-Dichloroimidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD06761692
• PubChem SID: 162048024
• PubChem CID: 24213814

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.620825
• LogD (pH = 7.4): 1.9601846
• Log P: 1.9676387
• Molar Refractivity: 45.546 cm^3
• Polarizability: 17.129528 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152 - 154 °C; 152-154°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%