6-chloroimidazo[1,2-a]pyridine-5-carboxylic acid

• ChemBase ID: 102045
• Molecular Formular: C8H5ClN2O2
• Molecular Mass: 196.5905
• Monoisotopic Mass: 196.00395509
• SMILES: c1(c(n2c(cc1)ncc2)C(=O)O)Cl
• Canonical SMILES: OC(=O)c1c(Cl)ccc2n1ccn2
• InChI: InChI=1S/C8H5ClN2O2/c9-5-1-2-6-10-3-4-11(6)7(5)8(12)13/h1-4H,(H,12,13)
• InChIKey: POGRWPCSRIYJKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroimidazo[1,2-a]pyridine-5-carboxylic acid
• IUPAC Traditional name: 6-chloroimidazo[1,2-a]pyridine-5-carboxylic acid
• Synonyms: 6-Chloroimidazo[1,2-a]pyridine-5-carboxylic acid

Database IDs

• PubChem SID: 162105688
• PubChem CID: 71300178

CALCULATED PROPERTIES

• Acid pKa: 3.128434
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.38721955
• LogD (pH = 7.4): -1.1820428
• Log P: -0.3636469
• Molar Refractivity: 47.8749 cm^3
• Polarizability: 17.62806 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true