ethyl 7-chloro-8-iodoimidazo[1,2-a]pyridine-2-carboxylate

• ChemBase ID: 61649
• Molecular Formular: C10H8ClIN2O2
• Molecular Mass: 350.54019
• Monoisotopic Mass: 349.93190319
• SMILES: c12nc(cn2ccc(c1I)Cl)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cn2c(n1)c(I)c(cc2)Cl
• InChI: InChI=1S/C10H8ClIN2O2/c1-2-16-10(15)7-5-14-4-3-6(11)8(12)9(14)13-7/h3-5H,2H2,1H3
• InChIKey: IIRCJIUYBPOGBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 7-chloro-8-iodoimidazo[1,2-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 7-chloro-8-iodoimidazo[1,2-a]pyridine-2-carboxylate
• Synonyms: Ethyl 7-chloro-8-iodoimidazo[1,2-a]pyridine-2-carboxylate

Database IDs

• MDL Number: MFCD19982795
• PubChem SID: 162027390
• PubChem CID: 56773858

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8374658
• LogD (pH = 7.4): 2.8386586
• Log P: 2.8386738
• Molar Refractivity: 70.5056 cm^3
• Polarizability: 26.866821 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 217 - 218 °C; 217-218°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%