2-chloro-5-(chlorodifluoromethyl)pyridine

• ChemBase ID: 234354
• Molecular Formular: C6H3Cl2F2N
• Molecular Mass: 197.9975264
• Monoisotopic Mass: 196.9610609
• SMILES: C(c1cnc(cc1)Cl)(Cl)(F)F
• Canonical SMILES: Clc1ccc(cn1)C(Cl)(F)F
• InChI: InChI=1S/C6H3Cl2F2N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H
• InChIKey: WXQQAFKXPWZPKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(chlorodifluoromethyl)pyridine
• IUPAC Traditional name: 2-chloro-5-(chlorodifluoromethyl)pyridine
• Synonyms: 2-chloro-5-[chloro(difluoro)methyl]pyridine

Database IDs

• MDL Number: MFCD00519716
• PubChem SID: 164290264
• PubChem CID: 4994583

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6643283
• LogD (pH = 7.4): 2.6643302
• Log P: 2.6643302
• Molar Refractivity: 40.5757 cm^3
• Polarizability: 14.813468 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.54

Product Information

• Purity: 95%