3-chloro-5-(difluoromethyl)pyridine

• ChemBase ID: 66187
• Molecular Formular: C6H4ClF2N
• Molecular Mass: 163.5524664
• Monoisotopic Mass: 163.00003325
• SMILES: c1c(cc(cn1)C(F)F)Cl
• Canonical SMILES: FC(c1cncc(c1)Cl)F
• InChI: InChI=1S/C6H4ClF2N/c7-5-1-4(6(8)9)2-10-3-5/h1-3,6H
• InChIKey: VAQYBNCMPQHBDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-(difluoromethyl)pyridine
• IUPAC Traditional name: 3-chloro-5-(difluoromethyl)pyridine
• Synonyms: 3-Chloro-5-(difluoromethyl)pyridine

Database IDs

• MDL Number: MFCD22199293
• PubChem SID: 162031926
• PubChem CID: 60623004

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7482334
• LogD (pH = 7.4): 1.7487001
• Log P: 1.7487061
• Molar Refractivity: 33.7899 cm^3
• Polarizability: 12.793327 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%