3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one

C13H17F3N2O3 — CID 126715396

IUPAC3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(C(N2CCOCC2)C(F)(F)F)n1C
InChIInChI=1S/C13H17F3N2O3/c1-8-7-9(19)11(20)10(17(8)2)12(13(14,15)16)18-3-5-21-6-4-18/h7,12,20H,3-6H2,1-2H3
InChIKeyGVELDRFNDMNMFQ-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.33
Rot. Bonds2

About 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one

3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one (PubChem CID 126715396) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one
PubChem CID126715396
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(C(N2CCOCC2)C(F)(F)F)n1C
InChIInChI=1S/C13H17F3N2O3/c1-8-7-9(19)11(20)10(17(8)2)12(13(14,15)16)18-3-5-21-6-4-18/h7,12,20H,3-6H2,1-2H3
InChIKeyGVELDRFNDMNMFQ-UHFFFAOYSA-N
XLogP1.33
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one (CID 126715396) is 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one is Cc1cc(=O)c(O)c(C(N2CCOCC2)C(F)(F)F)n1C.
What is the InChIKey of 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one?
The InChIKey is GVELDRFNDMNMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-8-7-9(19)11(20)10(17(8)2)12(13(14,15)16)18-3-5-21-6-4-18/h7,12,20H,3-6H2,1-2H3.
What are the key properties of 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one?
3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one has a molecular weight of 306.28 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one is sourced from PubChem (CID 126715396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).