ethyl 2-{6-chloroimidazo[1,2-a]pyridin-2-yl}acetate

• ChemBase ID: 297322
• Molecular Formular: C11H11ClN2O2
• Molecular Mass: 238.67024
• Monoisotopic Mass: 238.05090528
• SMILES: CCOC(=O)Cc1cn2cc(ccc2n1)Cl
• Canonical SMILES: CCOC(=O)Cc1cn2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C11H11ClN2O2/c1-2-16-11(15)5-9-7-14-6-8(12)3-4-10(14)13-9/h3-4,6-7H,2,5H2,1H3
• InChIKey: JZTURCHIBDOZFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-{6-chloroimidazo[1,2-a]pyridin-2-yl}acetate
• IUPAC Traditional name: ethyl 2-{6-chloroimidazo[1,2-a]pyridin-2-yl}acetate
• Synonyms: (6-Chloroimidazo[1,2-a]pyrid-2-yl)acetic acid ethyl ester; Ethyl (6-chloroimidazo[1,2-a]pyrid-2-yl)acetate

Database IDs

• CAS Number: 59128-02-8
• MDL Number: MFCD10699212
• PubChem SID: 180682853
• PubChem CID: 10799994

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3028442
• LogD (pH = 7.4): 1.8731276
• Log P: 1.8898947
• Molar Refractivity: 61.1945 cm^3
• Polarizability: 23.337128 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 56-59°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: 90+%