2,2,2-trifluoro-N-{6-iodoimidazo[1,2-a]pyridin-2-yl}acetamide

• ChemBase ID: 63538
• Molecular Formular: C9H5F3IN3O
• Molecular Mass: 355.0551796
• Monoisotopic Mass: 354.94294446
• SMILES: C(F)(F)(C(=O)Nc1cn2c(ccc(c2)I)n1)F
• Canonical SMILES: Ic1ccc2n(c1)cc(n2)NC(=O)C(F)(F)F
• InChI: InChI=1S/C9H5F3IN3O/c10-9(11,12)8(17)15-6-4-16-3-5(13)1-2-7(16)14-6/h1-4H,(H,15,17)
• InChIKey: BEXBGVODFKVSFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,2-trifluoro-N-{6-iodoimidazo[1,2-a]pyridin-2-yl}acetamide
• IUPAC Traditional name: 2,2,2-trifluoro-N-{6-iodoimidazo[1,2-a]pyridin-2-yl}acetamide
• Synonyms: 2,2,2-Trifluoro-N-(6-iodo-imidazo[1,2-a]pyridin-2-yl)acetamide

Database IDs

• CAS Number: 209971-49-3
• MDL Number: MFCD11878598
• PubChem SID: 162029277
• PubChem CID: 11013678

CALCULATED PROPERTIES

• Acid pKa: 10.3158455
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6509511
• LogD (pH = 7.4): 2.6524637
• Log P: 2.6529903
• Molar Refractivity: 65.4856 cm^3
• Polarizability: 23.2661 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%