2-fluoro-3-iodo-4-(trifluoromethyl)pyridine

• ChemBase ID: 242906
• Molecular Formular: C6H2F4IN
• Molecular Mass: 290.9848628
• Monoisotopic Mass: 290.91680995
• SMILES: c1(C(F)(F)F)c(c(ncc1)F)I
• Canonical SMILES: Fc1nccc(c1I)C(F)(F)F
• InChI: InChI=1S/C6H2F4IN/c7-5-4(11)3(1-2-12-5)6(8,9)10/h1-2H
• InChIKey: JTEKIJAADGFWFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-3-iodo-4-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-fluoro-3-iodo-4-(trifluoromethyl)pyridine
• Synonyms: 2-fluoro-3-iodo-4-(trifluoromethyl)pyridine

Database IDs

• MDL Number: MFCD16611149
• PubChem SID: 164298816
• PubChem CID: 71757109

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.098999
• LogD (pH = 7.4): 3.098999
• Log P: 3.098999
• Molar Refractivity: 44.4684 cm^3
• Polarizability: 16.355793 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.801

Product Information

• Purity: 95%