2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid

• ChemBase ID: 164254
• Molecular Formular: C15H10Cl2N2O2
• Molecular Mass: 321.1581
• Monoisotopic Mass: 320.01193293
• SMILES: c1cc(cn2c1nc(c2CC(=O)O)c1ccc(cc1)Cl)Cl
• Canonical SMILES: OC(=O)Cc1c(nc2n1cc(Cl)cc2)c1ccc(cc1)Cl
• InChI: InChI=1S/C15H10Cl2N2O2/c16-10-3-1-9(2-4-10)15-12(7-14(20)21)19-8-11(17)5-6-13(19)18-15/h1-6,8H,7H2,(H,20,21)
• InChIKey: IMKILIAPBKFUTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
• IUPAC Traditional name: [6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
• Synonyms: {6-Chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl}acetic Acid; 6-Chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-acetic Acid

Database IDs

• CAS Number: 82626-74-2
• PubChem SID: 162258389
• PubChem CID: 13068196

CALCULATED PROPERTIES

• Acid pKa: 3.8503997
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9381112
• LogD (pH = 7.4): 0.48694307
• Log P: 2.1267748
• Molar Refractivity: 81.4953 cm^3
• Polarizability: 32.18097 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMF; DMSO; Methanol
• Apperance: Brown Solid

DETAILS

Toronto Research Chemicals - C365620

An intermediate for the synthesis of Alpidem.