3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one

C12H15F3N2O3 — CID 126715428

IUPAC3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one
SMILESCn1ccc(=O)c(O)c1C(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O3/c1-16-3-2-8(18)10(19)9(16)11(12(13,14)15)17-4-6-20-7-5-17/h2-3,11,19H,4-7H2,1H3
InChIKeyPEXUYPFBMIUJKS-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.03
Rot. Bonds2

About 3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one

3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one (PubChem CID 126715428) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one
PubChem CID126715428
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one
SMILESCn1ccc(=O)c(O)c1C(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C12H15F3N2O3/c1-16-3-2-8(18)10(19)9(16)11(12(13,14)15)17-4-6-20-7-5-17/h2-3,11,19H,4-7H2,1H3
InChIKeyPEXUYPFBMIUJKS-UHFFFAOYSA-N
XLogP1.03
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one (CID 126715428) is 3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one is Cn1ccc(=O)c(O)c1C(N1CCOCC1)C(F)(F)F.
What is the InChIKey of 3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one?
The InChIKey is PEXUYPFBMIUJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-16-3-2-8(18)10(19)9(16)11(12(13,14)15)17-4-6-20-7-5-17/h2-3,11,19H,4-7H2,1H3.
What are the key properties of 3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one?
3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one has a molecular weight of 292.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one is sourced from PubChem (CID 126715428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).