6-(trifluoromethyl)pyridine-2-sulfonyl chloride

• ChemBase ID: 803034
• Molecular Formular: C6H3ClF3NO2S
• Molecular Mass: 245.6067296
• Monoisotopic Mass: 244.95251168
• SMILES: n1c(cccc1C(F)(F)F)S(=O)(=O)Cl
• Canonical SMILES: FC(c1cccc(n1)S(=O)(=O)Cl)(F)F
• InChI: InChI=1S/C6H3ClF3NO2S/c7-14(12,13)5-3-1-2-4(11-5)6(8,9)10/h1-3H
• InChIKey: NYLSSIUKRSAKBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(trifluoromethyl)pyridine-2-sulfonyl chloride
• IUPAC Traditional name: 6-(trifluoromethyl)pyridine-2-sulfonyl chloride
• Synonyms: 6-(TRIFLUOROMETHYL)PYRIDINE-2-SULFONYL CHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5600328
• LogD (pH = 7.4): 2.5600328
• Log P: 2.5600328
• Molar Refractivity: 44.0105 cm^3
• Polarizability: 17.118776 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%