2-fluoro-3-iodo-6-(trifluoromethyl)pyridine

• ChemBase ID: 242546
• Molecular Formular: C6H2F4IN
• Molecular Mass: 290.9848628
• Monoisotopic Mass: 290.91680995
• SMILES: n1c(c(ccc1C(F)(F)F)I)F
• Canonical SMILES: Ic1ccc(nc1F)C(F)(F)F
• InChI: InChI=1S/C6H2F4IN/c7-5-3(11)1-2-4(12-5)6(8,9)10/h1-2H
• InChIKey: YKFWFYZXEVQOLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-3-iodo-6-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-fluoro-3-iodo-6-(trifluoromethyl)pyridine
• Synonyms: 2-fluoro-3-iodo-6-(trifluoromethyl)pyridine

Database IDs

• MDL Number: MFCD16606451
• PubChem SID: 164298456
• PubChem CID: 59023031

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4848492
• LogD (pH = 7.4): 3.4848492
• Log P: 3.4848492
• Molar Refractivity: 44.0964 cm^3
• Polarizability: 16.357275 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48 - 50°C
• Hydrophobicity(logP): 2.981

Product Information

• Purity: 95%