6-bromo-2-chloroimidazo[1,2-a]pyridine-3-sulfonyl chloride

• ChemBase ID: 281991
• Molecular Formular: C7H3BrCl2N2O2S
• Molecular Mass: 329.98592
• Monoisotopic Mass: 327.84756571
• SMILES: c1(n2c(nc1Cl)ccc(c2)Br)S(=O)(=O)Cl
• Canonical SMILES: Brc1ccc2n(c1)c(c(n2)Cl)S(=O)(=O)Cl
• InChI: InChI=1S/C7H3BrCl2N2O2S/c8-4-1-2-5-11-6(9)7(12(5)3-4)15(10,13)14/h1-3H
• InChIKey: RSRFVQNPRXQRLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-chloroimidazo[1,2-a]pyridine-3-sulfonyl chloride
• IUPAC Traditional name: 6-bromo-2-chloroimidazo[1,2-a]pyridine-3-sulfonyl chloride
• Synonyms: 6-bromo-2-chloroimidazo[1,2-a]pyridine-3-sulfonyl chloride

Database IDs

• MDL Number: MFCD16547809
• PubChem SID: 180667522
• PubChem CID: 47003643

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3881032
• LogD (pH = 7.4): 2.3881178
• Log P: 2.388118
• Molar Refractivity: 62.8728 cm^3
• Polarizability: 24.563131 Å^3
• Polar Surface Area: 51.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.041

Product Information

• Purity: 95%