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

• ChemBase ID: 53742
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: c12n(ccc(c1)C(=O)OCC)ccn2
• Canonical SMILES: CCOC(=O)c1ccn2c(c1)ncc2
• InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)8-3-5-12-6-4-11-9(12)7-8/h3-7H,2H2,1H3
• InChIKey: UWYWNAGXCZHLLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl imidazo[1,2-a]pyridine-7-carboxylate
• IUPAC Traditional name: ethyl imidazo[1,2-a]pyridine-7-carboxylate
• Synonyms: Ethyl imidazo[1,2-a]pyridine-7-carboxylate; Ethyl imidazo[1,2-a]pyridine-7-carboxylate 98%

Database IDs

• CAS Number: 372147-49-4
• MDL Number: MFCD08436046
• PubChem SID: 162058505
• PubChem CID: 11789985

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

Physical Property

• Melting Point: 79-81°C; 87 - 88 °C; 87-88°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Purity: >95%