2,3-difluoro-6-(trifluoromethyl)pyridine

• ChemBase ID: 98342
• Molecular Formular: C6H2F5N
• Molecular Mass: 183.078796
• Monoisotopic Mass: 183.01074017
• SMILES: n1c(c(ccc1C(F)(F)F)F)F
• Canonical SMILES: Fc1ccc(nc1F)C(F)(F)F
• InChI: InChI=1S/C6H2F5N/c7-3-1-2-4(6(9,10)11)12-5(3)8/h1-2H
• InChIKey: RMLBNMVDMAZSKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-difluoro-6-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2,3-difluoro-6-(trifluoromethyl)pyridine
• Synonyms: 2,3-Difluoro-6-(trifluoromethyl)pyridine

Database IDs

• CAS Number: 1159512-37-4
• PubChem SID: 162105211
• PubChem CID: 45790560

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6986067
• LogD (pH = 7.4): 2.6986067
• Log P: 2.6986067
• Molar Refractivity: 30.9503 cm^3
• Polarizability: 10.696307 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%