ethyl imidazo[1,2-a]pyridine-8-carboxylate

• ChemBase ID: 44041
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: c1(c2n(ccn2)ccc1)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cccn2c1ncc2
• InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)8-4-3-6-12-7-5-11-9(8)12/h3-7H,2H2,1H3
• InChIKey: AVZZFXQRDFELRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl imidazo[1,2-a]pyridine-8-carboxylate
• IUPAC Traditional name: ethyl imidazo[1,2-a]pyridine-8-carboxylate
• Synonyms: Ethyl imidazo[1,2-a]pyridine-8-carboxylate

Database IDs

• CAS Number: 158020-74-7
• MDL Number: MFCD10698079
• PubChem SID: 162048804
• PubChem CID: 10867135

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.96714497
• LogD (pH = 7.4): 1.1174457
• Log P: 1.1198343
• Molar Refractivity: 52.7103 cm^3
• Polarizability: 19.567451 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Store under N2
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%