6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid hydrobromide

• ChemBase ID: 24062
• Molecular Formular: C8H6BrClN2O2
• Molecular Mass: 277.50244
• Monoisotopic Mass: 275.93011712
• SMILES: c12n(cc(n1)C(=O)O)cc(cc2)Cl.Br
• Canonical SMILES: Clc1ccc2n(c1)cc(n2)C(=O)O.Br
• InChI: InChI=1S/C8H5ClN2O2.BrH/c9-5-1-2-7-10-6(8(12)13)4-11(7)3-5;/h1-4H,(H,12,13);1H
• InChIKey: BBVSMZQXSFUQHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid hydrobromide
• IUPAC Traditional name: 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid hydrobromide
• Synonyms: 6-Chloro-imidazo[1,2-a]pyridine-2-carboxylic acid hydrobromide

Database IDs

• MDL Number: MFCD06739438
• PubChem SID: 160987369
• PubChem CID: 2757613

CALCULATED PROPERTIES

• Acid pKa: 2.0114796
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.65534985
• LogD (pH = 7.4): -1.9439555
• Log P: -0.17664418
• Molar Refractivity: 47.6254 cm^3
• Polarizability: 17.613216 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false