4-chloro-3-(difluoromethyl)pyridine hydrochloride

• ChemBase ID: 66190
• Molecular Formular: C6H5Cl2F2N
• Molecular Mass: 200.0134064
• Monoisotopic Mass: 198.97671097
• SMILES: c1c(c(ccn1)Cl)C(F)F.Cl
• Canonical SMILES: FC(c1cnccc1Cl)F.Cl
• InChI: InChI=1S/C6H4ClF2N.ClH/c7-5-1-2-10-3-4(5)6(8)9;/h1-3,6H;1H
• InChIKey: YVPWQOIXSYXITA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3-(difluoromethyl)pyridine hydrochloride
• IUPAC Traditional name: 4-chloro-3-(difluoromethyl)pyridine hydrochloride
• Synonyms: 4-Chloro-3-(difluoromethyl)pyridine hydrochloride

Database IDs

• MDL Number: MFCD22199296
• PubChem SID: 162031929
• PubChem CID: 60623006

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.745
• LogD (pH = 7.4): 1.7486591
• Log P: 1.7487061
• Molar Refractivity: 33.7899 cm^3
• Polarizability: 12.790418 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%