2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid

• ChemBase ID: 74070
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: n12c(c(nc1ccc(c2)C)C)C(=O)O
• Canonical SMILES: Cc1ccc2n(c1)c(C(=O)O)c(n2)C
• InChI: InChI=1S/C10H10N2O2/c1-6-3-4-8-11-7(2)9(10(13)14)12(8)5-6/h3-5H,1-2H3,(H,13,14)
• InChIKey: JCDXLERYTZDKRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
• IUPAC Traditional name: 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
• Synonyms: 3-Carboxy-2,6-dimethylimidazo[1,2-a]pyridine; 2,6-Dimethylimidazo[1,2-a]pyridine-3-carboxylic acid

Database IDs

• CAS Number: 81438-52-0
• MDL Number: MFCD00269372
• PubChem SID: 162038989
• PubChem CID: 2737443

CALCULATED PROPERTIES

• Acid pKa: 2.5578218
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9505747
• LogD (pH = 7.4): -2.2803843
• Log P: -0.6110872
• Molar Refractivity: 52.7028 cm^3
• Polarizability: 19.174381 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant