ethyl 6-chloro-8-iodoimidazo[1,2-a]pyridine-2-carboxylate

• ChemBase ID: 43437
• Molecular Formular: C10H8ClIN2O2
• Molecular Mass: 350.54019
• Monoisotopic Mass: 349.93190319
• SMILES: n1c2n(cc1C(=O)OCC)cc(cc2I)Cl
• Canonical SMILES: CCOC(=O)c1cn2c(n1)c(I)cc(c2)Cl
• InChI: InChI=1S/C10H8ClIN2O2/c1-2-16-10(15)8-5-14-4-6(11)3-7(12)9(14)13-8/h3-5H,2H2,1H3
• InChIKey: VMOLSCRXCGGQIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-chloro-8-iodoimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 6-chloro-8-iodoimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: Ethyl 6-chloro-8-iodoimidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• MDL Number: MFCD10758086
• PubChem SID: 162048200
• PubChem CID: 25918792

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8365834
• LogD (pH = 7.4): 2.8386474
• Log P: 2.8386738
• Molar Refractivity: 70.5056 cm^3
• Polarizability: 26.846382 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 130 °C; 129-130°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%