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

C12H13F3N2O3 — CID 56876123

IUPAC2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCOC(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)
InChIKeyFBYOAAOUILVJSK-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.09
Rot. Bonds1

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

2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one (PubChem CID 56876123) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
PubChem CID56876123
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCOC(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)
InChIKeyFBYOAAOUILVJSK-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one (CID 56876123) is 2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCOC(C(F)(F)F)C2)c[nH]1.
What is the InChIKey of 2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
The InChIKey is FBYOAAOUILVJSK-UHFFFAOYSA-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).
What are the key properties of 2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one?
2-methyl-5-[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-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 56876123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).