2-chloro-4-methyl-6-(trifluoromethyl)pyridine

• ChemBase ID: 815424
• Molecular Formular: C7H5ClF3N
• Molecular Mass: 195.5695096
• Monoisotopic Mass: 195.00626151
• SMILES: n1c(cc(cc1C(F)(F)F)C)Cl
• Canonical SMILES: Cc1cc(Cl)nc(c1)C(F)(F)F
• InChI: InChI=1S/C7H5ClF3N/c1-4-2-5(7(9,10)11)12-6(8)3-4/h2-3H,1H3
• InChIKey: KAYVWTDOIYYSDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-methyl-6-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-chloro-4-methyl-6-(trifluoromethyl)pyridine
• Synonyms: 2-chloro-4-methyl-6-(trifluoromethyl)pyridine

Database IDs

• CAS Number: 749256-90-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3569155
• LogD (pH = 7.4): 3.3569155
• Log P: 3.3569155
• Molar Refractivity: 40.4101 cm^3
• Polarizability: 14.487113 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%