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

• ChemBase ID: 43272
• Molecular Formular: C7H3BrCl2N2
• Molecular Mass: 265.92212
• Monoisotopic Mass: 263.88566547
• SMILES: n12c(ncc1Br)c(cc(c2)Cl)Cl
• Canonical SMILES: Clc1cc(Cl)c2n(c1)c(Br)cn2
• InChI: InChI=1S/C7H3BrCl2N2/c8-6-2-11-7-5(10)1-4(9)3-12(6)7/h1-3H
• InChIKey: CJLKTLUNUJRVNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6,8-dichloroimidazo[1,2-a]pyridine
• IUPAC Traditional name: 3-bromo-6,8-dichloroimidazo[1,2-a]pyridine
• Synonyms: 3-Bromo-6,8-dichloroimidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD09607939
• PubChem SID: 162048035
• PubChem CID: 24213822

CALCULATED PROPERTIES

• Log P: 2.4367468
• Molar Refractivity: 52.9508 cm^3
• Polarizability: 20.17983 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3930202
• LogD (pH = 7.4): 2.4361625

PROPERTIES

Physical Property

• Melting Point: 111 - 113 °C; 111-113°C

Safety Information

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

Product Information

• Purity: >95%