8-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine

• ChemBase ID: 43984
• Molecular Formular: C8H4F3IN2
• Molecular Mass: 312.0304396
• Monoisotopic Mass: 311.9371308
• SMILES: c1(cn2c(c(c1)I)ncc2)C(F)(F)F
• Canonical SMILES: Ic1cc(cn2c1ncc2)C(F)(F)F
• InChI: InChI=1S/C8H4F3IN2/c9-8(10,11)5-3-6(12)7-13-1-2-14(7)4-5/h1-4H
• InChIKey: HGFIGHYABOIOEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• IUPAC Traditional name: 8-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• Synonyms: 8-Iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD11100236
• PubChem SID: 162048747
• PubChem CID: 30772116

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1660643
• LogD (pH = 7.4): 2.5568519
• Log P: 2.5663424
• Molar Refractivity: 55.2726 cm^3
• Polarizability: 20.095604 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116 °C; 114-116°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%