[3-methyl-4-(trifluoromethoxy)pyridin-2-yl]methanamine

• ChemBase ID: 807203
• Molecular Formular: C8H9F3N2O
• Molecular Mass: 206.1650696
• Monoisotopic Mass: 206.06669758
• SMILES: NCc1nccc(c1C)OC(F)(F)F
• Canonical SMILES: NCc1nccc(c1C)OC(F)(F)F
• InChI: InChI=1S/C8H9F3N2O/c1-5-6(4-12)13-3-2-7(5)14-8(9,10)11/h2-3H,4,12H2,1H3
• InChIKey: FVSHZGVRCDLZAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-methyl-4-(trifluoromethoxy)pyridin-2-yl]methanamine
• IUPAC Traditional name: [3-methyl-4-(trifluoromethoxy)pyridin-2-yl]methanamine
• Synonyms: C-(3-METHYL-4-TRIFLUOROMETHOXY-PYRIDIN-2-YL)-METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7647201
• LogD (pH = 7.4): 0.8565416
• Log P: 1.9073467
• Molar Refractivity: 39.9638 cm^3
• Polarizability: 16.514547 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%