2,6-dimethyl-4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]morpholine

• ChemBase ID: 95229
• Molecular Formular: C14H17F3N2O2
• Molecular Mass: 302.2921896
• Monoisotopic Mass: 302.12421245
• SMILES: N1(C(=O)c2c(nc(cc2)C(F)(F)F)C)CC(C)OC(C1)C
• Canonical SMILES: CC1OC(C)CN(C1)C(=O)c1ccc(nc1C)C(F)(F)F
• InChI: InChI=1S/C14H17F3N2O2/c1-8-6-19(7-9(2)21-8)13(20)11-4-5-12(14(15,16)17)18-10(11)3/h4-5,8-9H,6-7H2,1-3H3
• InChIKey: FKYPAFJTDKQZBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]morpholine
• IUPAC Traditional name: 2,6-dimethyl-4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]morpholine
• Synonyms: (2,6-dimethylmorpholino)[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methanone

Database IDs

• MDL Number: MFCD01312043
• PubChem SID: 162081879
• PubChem CID: 2779432

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0632734
• LogD (pH = 7.4): 2.0632842
• Log P: 2.0632844
• Molar Refractivity: 70.8782 cm^3
• Polarizability: 26.27221 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true