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

• ChemBase ID: 41121
• Molecular Formular: C10H9ClN2O2
• Molecular Mass: 224.64366
• Monoisotopic Mass: 224.03525522
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cn2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C10H9ClN2O2/c1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8/h3-6H,2H2,1H3
• InChIKey: JWGKTXNASUZJAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: Ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• CAS Number: 67625-38-1
• MDL Number: MFCD02186220
• PubChem SID: 162045884
• PubChem CID: 901008

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8978046
• LogD (pH = 7.4): 1.909577
• Log P: 1.9097294
• Molar Refractivity: 57.1431 cm^3
• Polarizability: 21.496563 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112 - 114 °C; 112-114°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%