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

• ChemBase ID: 41705
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: c1(nc2n(c1)cccc2)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1nc2n(c1)cccc2
• InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)8-7-12-6-4-3-5-9(12)11-8/h3-7H,2H2,1H3
• InChIKey: GNFACXDTRBVZJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl imidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl imidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: Ethyl imidazo[1,2-a]pyridine-2-carboxylate; Ethyl imidazo[1,2-a]pyridine-2-carboxylate 97%; Imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester; Ethyl imidazo[1,2-a]pyridine-2-carboxylate; Imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester

Database IDs

• CAS Number: 38922-77-9
• MDL Number: MFCD02325394
• PubChem SID: 162046468
• PubChem CID: 818807

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2930112
• LogD (pH = 7.4): 1.3055227
• Log P: 1.3056847
• Molar Refractivity: 52.3383 cm^3
• Polarizability: 19.57138 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C; 78-80°C; 79.5-83°C; 88 - 90 °C; 88-90°C
• Hydrophobicity(logP): 1.598

Safety Information

• Storage Warning: Harmful; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: >95%; 95%; 95+%