methyl({[6-(trifluoromethyl)pyridin-3-yl]methyl})amine

• ChemBase ID: 807313
• Molecular Formular: C8H9F3N2
• Molecular Mass: 190.1656696
• Monoisotopic Mass: 190.07178296
• SMILES: C(NC)c1cnc(cc1)C(F)(F)F
• Canonical SMILES: CNCc1ccc(nc1)C(F)(F)F
• InChI: InChI=1S/C8H9F3N2/c1-12-4-6-2-3-7(13-5-6)8(9,10)11/h2-3,5,12H,4H2,1H3
• InChIKey: DNSJZPZEMZAKIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[6-(trifluoromethyl)pyridin-3-yl]methyl})amine
• IUPAC Traditional name: methyl({[6-(trifluoromethyl)pyridin-3-yl]methyl})amine
• Synonyms: N-METHYL-1-[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5160595
• LogD (pH = 7.4): -0.14905563
• Log P: 1.577621
• Molar Refractivity: 42.7508 cm^3
• Polarizability: 15.795342 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%