3,6-dichloro-2-(difluoromethyl)pyridine

• ChemBase ID: 66202
• Molecular Formular: C6H3Cl2F2N
• Molecular Mass: 197.9975264
• Monoisotopic Mass: 196.9610609
• SMILES: c1(c(ccc(n1)Cl)Cl)C(F)F
• Canonical SMILES: Clc1ccc(c(n1)C(F)F)Cl
• InChI: InChI=1S/C6H3Cl2F2N/c7-3-1-2-4(8)11-5(3)6(9)10/h1-2,6H
• InChIKey: CJBKXFSIJOYMGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22199305
• PubChem SID: 162031941
• PubChem CID: 60623015

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7298841
• LogD (pH = 7.4): 2.7298841
• Log P: 2.7298841
• Molar Refractivity: 39.3023 cm^3
• Polarizability: 14.857192 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%