2-chloro-4-iodo-6-(trifluoromethyl)pyridine

• ChemBase ID: 815416
• Molecular Formular: C6H2ClF3IN
• Molecular Mass: 307.4394596
• Monoisotopic Mass: 306.88725941
• SMILES: n1c(cc(cc1C(F)(F)F)I)Cl
• Canonical SMILES: Ic1cc(Cl)nc(c1)C(F)(F)F
• InChI: InChI=1S/C6H2ClF3IN/c7-5-2-3(11)1-4(12-5)6(8,9)10/h1-2H
• InChIKey: JHKQSKCFLAXPKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-iodo-6-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-chloro-4-iodo-6-(trifluoromethyl)pyridine
• Synonyms: 2-chloro-4-iodo-6-(trifluoromethyl)pyridine

Database IDs

• CAS Number: 205444-22-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7724385
• LogD (pH = 7.4): 3.7724385
• Log P: 3.7724385
• Molar Refractivity: 48.7314 cm^3
• Polarizability: 18.405834 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%