ethyl imidazo[1,2-a]pyridine-7-carboxylate hydrochloride

• ChemBase ID: 75595
• Molecular Formular: C10H11ClN2O2
• Molecular Mass: 226.65954
• Monoisotopic Mass: 226.05090528
• SMILES: n12c(ncc1)cc(cc2)C(=O)OCC.Cl
• Canonical SMILES: CCOC(=O)c1ccn2c(c1)ncc2.Cl
• InChI: InChI=1S/C10H10N2O2.ClH/c1-2-14-10(13)8-3-5-12-6-4-11-9(12)7-8;/h3-7H,2H2,1H3;1H
• InChIKey: TUOJCZGQKPRXPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl imidazo[1,2-a]pyridine-7-carboxylate hydrochloride
• IUPAC Traditional name: ethyl imidazo[1,2-a]pyridine-7-carboxylate hydrochloride
• Synonyms: Ethyl imidazo[1,2-a]pyridine-7-carboxylate hydrochloride

Database IDs

• CAS Number: 957120-75-1
• MDL Number: MFCD09800986
• PubChem SID: 162040513
• PubChem CID: 44118785

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.508922
• LogD (pH = 7.4): 1.0970308
• Log P: 1.1198343
• Molar Refractivity: 52.7103 cm^3
• Polarizability: 19.565296 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant