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

• ChemBase ID: 66189
• Molecular Formular: C6H3Cl2F2N
• Molecular Mass: 197.9975264
• Monoisotopic Mass: 196.9610609
• SMILES: c1(c(cc(cn1)C(F)F)Cl)Cl
• Canonical SMILES: FC(c1cnc(c(c1)Cl)Cl)F
• InChI: InChI=1S/C6H3Cl2F2N/c7-4-1-3(6(9)10)2-11-5(4)8/h1-2,6H
• InChIKey: ODKRLOKESDPEPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22199295
• PubChem SID: 162031928
• PubChem CID: 21257373

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5729277
• LogD (pH = 7.4): 2.572928
• Log P: 2.572928
• Molar Refractivity: 39.656 cm^3
• Polarizability: 14.874489 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%