2,6-dichloro-3-fluoro-5-(trifluoromethyl)pyridine

• ChemBase ID: 29822
• Molecular Formular: C6HCl2F4N
• Molecular Mass: 233.9784528
• Monoisotopic Mass: 232.94221728
• SMILES: c1(c(cc(c(n1)Cl)C(F)(F)F)F)Cl
• Canonical SMILES: Clc1nc(Cl)c(cc1C(F)(F)F)F
• InChI: InChI=1S/C6HCl2F4N/c7-4-2(6(10,11)12)1-3(9)5(8)13-4/h1H
• InChIKey: VVXQCTFINCODIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-3-fluoro-5-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2,6-dichloro-3-fluoro-5-(trifluoromethyl)pyridine
• Synonyms: 2,6-Dichloro-3-fluoro-5-(trifluoromethyl)pyridine

Database IDs

• MDL Number: MFCD11100554
• PubChem SID: 160993129
• PubChem CID: 37859559

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4245675
• LogD (pH = 7.4): 3.4245675
• Log P: 3.4245675
• Molar Refractivity: 41.8234 cm^3
• Polarizability: 14.857551 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%