2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one

C12H13F3N2O3 — CID 95555796

IUPAC2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCO[C@H](C(F)(F)F)C2)c[nH]1
InChIInChI=1S/C12H13F3N2O3/c1-7-4-9(18)8(5-16-7)11(19)17-2-3-20-10(6-17)12(13,14)15/h4-5,10H,2-3,6H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyFBYOAAOUILVJSK-JTQLQIEISA-N
MW290.24 g/mol
LogP1.09
Rot. Bonds1

About 2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one

2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one (PubChem CID 95555796) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
PubChem CID95555796
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCO[C@H](C(F)(F)F)C2)c[nH]1
InChIInChI=1S/C12H13F3N2O3/c1-7-4-9(18)8(5-16-7)11(19)17-2-3-20-10(6-17)12(13,14)15/h4-5,10H,2-3,6H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyFBYOAAOUILVJSK-JTQLQIEISA-N
XLogP1.09
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Isopropyl-3-{[2-(trifluoromethyl)-4-morpholinyl]carbonyl}-2-pyridinol
CID 56870455
6-cyclopropyl-3-[(2S,3S)-3-methyl-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 164633486
2,6-Dimethyl-3-{[2-(trifluoromethyl)-4-morpholinyl]carbonyl}-4-pyridinol
CID 56865919
2-methyl-5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyridin-4(1H)-one
CID 56876123
2,6-dimethyl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
CID 95509715
2,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
CID 95509716
6-propan-2-yl-3-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95550570
6-propan-2-yl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95550571
2-methyl-5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
CID 95555797
6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103696314
N-butyl-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103716722
2-methyl-5-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridin-4-one
CID 103717425

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one (CID 95555796) is 2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCO[C@H](C(F)(F)F)C2)c[nH]1.
What is the InChIKey of 2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The InChIKey is FBYOAAOUILVJSK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-7-4-9(18)8(5-16-7)11(19)17-2-3-20-10(6-17)12(13,14)15/h4-5,10H,2-3,6H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one has a molecular weight of 290.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 95555796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).