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

• ChemBase ID: 801168
• Molecular Formular: C6H2ClF3IN
• Molecular Mass: 307.4394596
• Monoisotopic Mass: 306.88725941
• SMILES: n1c(c(ccc1C(F)(F)F)I)Cl
• Canonical SMILES: Ic1ccc(nc1Cl)C(F)(F)F
• InChI: InChI=1S/C6H2ClF3IN/c7-5-3(11)1-2-4(12-5)6(8,9)10/h1-2H
• InChIKey: OQDHZJUOSNEOQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-iodo-6-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-chloro-3-iodo-6-(trifluoromethyl)pyridine
• Synonyms: 2-CHLORO-3-IODO-6-(TRIFLUOROMETHYL)PYRIDINE

Database IDs

• CAS Number: 205240-59-1

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: 18.424648 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%