[2,6-dimethyl-4-(trifluoromethyl)pyridin-3-yl]methanamine

• ChemBase ID: 807156
• Molecular Formular: C9H11F3N2
• Molecular Mass: 204.1922496
• Monoisotopic Mass: 204.08743302
• SMILES: NCc1c(nc(cc1C(F)(F)F)C)C
• Canonical SMILES: NCc1c(C)nc(cc1C(F)(F)F)C
• InChI: InChI=1S/C9H11F3N2/c1-5-3-8(9(10,11)12)7(4-13)6(2)14-5/h3H,4,13H2,1-2H3
• InChIKey: DGXKTCFSAIHPDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,6-dimethyl-4-(trifluoromethyl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [2,6-dimethyl-4-(trifluoromethyl)pyridin-3-yl]methanamine
• Synonyms: C-(2,6-DIMETHYL-4-TRIFLUOROMETHYL-PYRIDIN-3-YL)-METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9132686
• LogD (pH = 7.4): -0.55273676
• Log P: 1.0219307
• Molar Refractivity: 47.5312 cm^3
• Polarizability: 17.455631 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%