ethyl 3-chloroimidazo[1,2-a]pyridine-6-carboxylate

• ChemBase ID: 297351
• Molecular Formular: C10H9ClN2O2
• Molecular Mass: 224.64366
• Monoisotopic Mass: 224.03525522
• SMILES: Clc1cnc2n1cc(cc2)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1ccc2n(c1)c(Cl)cn2
• InChI: InChI=1S/C10H9ClN2O2/c1-2-15-10(14)7-3-4-9-12-5-8(11)13(9)6-7/h3-6H,2H2,1H3
• InChIKey: RFXBTKSOEXPTLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-chloroimidazo[1,2-a]pyridine-6-carboxylate
• IUPAC Traditional name: ethyl 3-chloroimidazo[1,2-a]pyridine-6-carboxylate
• Synonyms: 3-Chloroimidazo[1,2-a]pyridine-6-carboxylic acid ethyl ester; Ethyl 3-chloroimidazo[1,2-a]pyridine-6-carboxylate

Database IDs

• MDL Number: MFCD21100199
• PubChem SID: 180682882
• PubChem CID: 73995192

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3783838
• LogD (pH = 7.4): 1.4380618
• Log P: 1.4388896
• Molar Refractivity: 57.5162 cm^3
• Polarizability: 21.511324 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101-103°C

Safety Information

• 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%