ethyl 2-{imidazo[1,2-a]pyridin-2-yl}acetate

• ChemBase ID: 254664
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: n1c2n(cc1CC(=O)OCC)cccc2
• Canonical SMILES: CCOC(=O)Cc1nc2n(c1)cccc2
• InChI: InChI=1S/C11H12N2O2/c1-2-15-11(14)7-9-8-13-6-4-3-5-10(13)12-9/h3-6,8H,2,7H2,1H3
• InChIKey: CELPSGSLQYBSCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-{imidazo[1,2-a]pyridin-2-yl}acetate
• IUPAC Traditional name: ethyl 2-{imidazo[1,2-a]pyridin-2-yl}acetate
• Synonyms: ethyl 2-{imidazo[1,2-a]pyridin-2-yl}acetate

Database IDs

• MDL Number: MFCD01113258
• PubChem SID: 164310574
• PubChem CID: 10822054

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.67873657
• LogD (pH = 7.4): 1.2679323
• Log P: 1.28585
• Molar Refractivity: 56.3897 cm^3
• Polarizability: 21.42076 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.413

Product Information

• Purity: 95%