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

• ChemBase ID: 29911
• Molecular Formular: C6H2Cl2F3N
• Molecular Mass: 215.9879896
• Monoisotopic Mass: 214.95163909
• SMILES: c1(c(cc(cn1)Cl)Cl)C(F)(F)F
• Canonical SMILES: Clc1cnc(c(c1)Cl)C(F)(F)F
• InChI: InChI=1S/C6H2Cl2F3N/c7-3-1-4(8)5(12-2-3)6(9,10)11/h1-2H
• InChIKey: WSALYASKYGIWGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11226518
• PubChem SID: 160993218
• PubChem CID: 249736

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2273614
• LogD (pH = 7.4): 3.2273614
• Log P: 3.2273614
• Molar Refractivity: 39.1124 cm^3
• Polarizability: 14.789226 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: 97%