2-methyl-4-(trifluoromethyl)pyridine hydrochloride

• ChemBase ID: 291748
• Molecular Formular: C7H7ClF3N
• Molecular Mass: 197.5853896
• Monoisotopic Mass: 197.02191157
• SMILES: FC(c1cc(C)ncc1)(F)F.Cl
• Canonical SMILES: Cc1nccc(c1)C(F)(F)F.Cl
• InChI: InChI=1S/C7H6F3N.ClH/c1-5-4-6(2-3-11-5)7(8,9)10;/h2-4H,1H3;1H
• InChIKey: RHTMXWVFXWESQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(trifluoromethyl)pyridine hydrochloride
• IUPAC Traditional name: 2-methyl-4-(trifluoromethyl)pyridine hydrochloride
• Synonyms: 2-Methyl-4-(trifluoromethyl)pyridine hydrochloride

Database IDs

• PubChem SID: 180677279
• PubChem CID: 70700278

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4557873
• LogD (pH = 7.4): 1.7589402
• Log P: 1.7647921
• Molar Refractivity: 34.4663 cm^3
• Polarizability: 12.423806 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%