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

• ChemBase ID: 255691
• Molecular Formular: C7H4Cl2N2O2S
• Molecular Mass: 251.08986
• Monoisotopic Mass: 249.93705374
• SMILES: c1(n2c(nc1Cl)cccc2)S(=O)(=O)Cl
• Canonical SMILES: Clc1nc2n(c1S(=O)(=O)Cl)cccc2
• InChI: InChI=1S/C7H4Cl2N2O2S/c8-6-7(14(9,12)13)11-4-2-1-3-5(11)10-6/h1-4H
• InChIKey: SKFNUROCOVAKFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09812064
• PubChem SID: 164311601
• PubChem CID: 10857916

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6193484
• LogD (pH = 7.4): 1.6193651
• Log P: 1.6193653
• Molar Refractivity: 55.25 cm^3
• Polarizability: 21.499674 Å^3
• Polar Surface Area: 51.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101 - 103°C
• Hydrophobicity(logP): -0.026

Product Information

• Purity: 95%