ethyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate

• ChemBase ID: 73850
• Molecular Formular: C10H9ClN2O2
• Molecular Mass: 224.64366
• Monoisotopic Mass: 224.03525522
• SMILES: n12c(nc(c1)C(=O)OCC)cccc2Cl
• Canonical SMILES: CCOC(=O)c1cn2c(n1)cccc2Cl
• InChI: InChI=1S/C10H9ClN2O2/c1-2-15-10(14)7-6-13-8(11)4-3-5-9(13)12-7/h3-6H,2H2,1H3
• InChIKey: UDQYTPCGXBXZCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: Ethyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate; 5-Chloroimidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester; Ethyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• CAS Number: 67625-36-9
• MDL Number: MFCD09864797
• PubChem SID: 162038769
• PubChem CID: 12428959

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6158593
• LogD (pH = 7.4): 1.624627
• Log P: 1.62474
• Molar Refractivity: 57.1442 cm^3
• Polarizability: 21.518234 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79-82°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 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%