[2-methoxy-6-(trifluoromethyl)pyridin-3-yl]methanamine

• ChemBase ID: 803019
• Molecular Formular: C8H9F3N2O
• Molecular Mass: 206.1650696
• Monoisotopic Mass: 206.06669758
• SMILES: NCc1c(nc(cc1)C(F)(F)F)OC
• Canonical SMILES: COc1nc(ccc1CN)C(F)(F)F
• InChI: InChI=1S/C8H9F3N2O/c1-14-7-5(4-12)2-3-6(13-7)8(9,10)11/h2-3H,4,12H2,1H3
• InChIKey: PPGYPFSRFLIJHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-methoxy-6-(trifluoromethyl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [2-methoxy-6-(trifluoromethyl)pyridin-3-yl]methanamine
• Synonyms: C-(2-METHOXY-6-TRIFLUOROMETHYL-PYRIDIN-3-YL)-METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1745194
• LogD (pH = 7.4): 0.37795523
• Log P: 1.5818269
• Molar Refractivity: 44.7529 cm^3
• Polarizability: 16.571026 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%