3-hydroxy-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one

C12H15F3N2O3 — CID 126715427

IUPAC3-hydroxy-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESO=c1ccn(CC(F)(F)F)c(CN2CCOCC2)c1O
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)8-17-2-1-10(18)11(19)9(17)7-16-3-5-20-6-4-16/h1-2,19H,3-8H2
InChIKeyYOKWHJCBBKVSIQ-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.95
Rot. Bonds3

About 3-hydroxy-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one

3-hydroxy-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one (PubChem CID 126715427) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3-hydroxy-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one
PubChem CID126715427
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name3-hydroxy-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESO=c1ccn(CC(F)(F)F)c(CN2CCOCC2)c1O
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)8-17-2-1-10(18)11(19)9(17)7-16-3-5-20-6-4-16/h1-2,19H,3-8H2
InChIKeyYOKWHJCBBKVSIQ-UHFFFAOYSA-N
XLogP0.95
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one (CID 126715427) is 3-hydroxy-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one is O=c1ccn(CC(F)(F)F)c(CN2CCOCC2)c1O.
What is the InChIKey of 3-hydroxy-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The InChIKey is YOKWHJCBBKVSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c13-12(14,15)8-17-2-1-10(18)11(19)9(17)7-16-3-5-20-6-4-16/h1-2,19H,3-8H2.
What are the key properties of 3-hydroxy-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one?
3-hydroxy-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one has a molecular weight of 292.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one is sourced from PubChem (CID 126715427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).