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

• ChemBase ID: 88439
• Molecular Formular: C10H9ClN2O2
• Molecular Mass: 224.64366
• Monoisotopic Mass: 224.03525522
• SMILES: n12cc(nc1cc(Cl)cc2)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cn2c(n1)cc(cc2)Cl
• InChI: InChI=1S/C10H9ClN2O2/c1-2-15-10(14)8-6-13-4-3-7(11)5-9(13)12-8/h3-6H,2H2,1H3
• InChIKey: ZGSKNRFGZMYUGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 7-chloroimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 7-chloroimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: 7-Chloroimidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester; Ethyl 7-chloroimidazo[1,2-a]pyridine-2-carboxylate; Ethyl 7-chloroimidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• CAS Number: 1204501-38-1
• MDL Number: MFCD11505035
• PubChem SID: 162104590
• PubChem CID: 51063903

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.90297
• LogD (pH = 7.4): 1.9096435
• Log P: 1.9097294
• Molar Refractivity: 57.1431 cm^3
• Polarizability: 21.503008 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 177-179°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%