{[2-methoxy-5-(trifluoromethyl)pyridin-3-yl]methyl}(methyl)amine

• ChemBase ID: 803053
• Molecular Formular: C9H11F3N2O
• Molecular Mass: 220.1916496
• Monoisotopic Mass: 220.08234764
• SMILES: N(C)Cc1c(ncc(c1)C(F)(F)F)OC
• Canonical SMILES: CNCc1cc(cnc1OC)C(F)(F)F
• InChI: InChI=1S/C9H11F3N2O/c1-13-4-6-3-7(9(10,11)12)5-14-8(6)15-2/h3,5,13H,4H2,1-2H3
• InChIKey: DSQOJBUBMUFAJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-methoxy-5-(trifluoromethyl)pyridin-3-yl]methyl}(methyl)amine
• IUPAC Traditional name: {[2-methoxy-5-(trifluoromethyl)pyridin-3-yl]methyl}(methyl)amine
• Synonyms: (2-METHOXY-5-TRIFLUOROMETHYL-PYRIDIN-3-YLMETHYL)-METHYL-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.190436
• LogD (pH = 7.4): 0.47617173
• Log P: 1.628557
• Molar Refractivity: 49.8995 cm^3
• Polarizability: 18.361023 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%