ethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate

• ChemBase ID: 89360
• Molecular Formular: C11H11ClN2O2
• Molecular Mass: 238.67024
• Monoisotopic Mass: 238.05090528
• SMILES: n12c(c(nc1ccc(c2)Cl)C)C(=O)OCC
• Canonical SMILES: Cc1nc2n(c1C(=O)OCC)cc(cc2)Cl
• InChI: InChI=1S/C11H11ClN2O2/c1-3-16-11(15)10-7(2)13-9-5-4-8(12)6-14(9)10/h4-6H,3H2,1-2H3
• InChIKey: CCUPMKHLKAODHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate
• IUPAC Traditional name: ethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate
• Synonyms: Ethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate

Database IDs

• MDL Number: MFCD00269623
• PubChem SID: 162076240
• PubChem CID: 800334

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7530642
• LogD (pH = 7.4): 1.7749634
• Log P: 1.7752503
• Molar Refractivity: 61.9841 cm^3
• Polarizability: 23.251608 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant