2-(2,2-difluoro-1-morpholin-4-ylethyl)-3-hydroxy-1-methylpyridin-4-one

C12H16F2N2O3 — CID 126715449

IUPAC2-(2,2-difluoro-1-morpholin-4-ylethyl)-3-hydroxy-1-methylpyridin-4-one
SMILESCn1ccc(=O)c(O)c1C(C(F)F)N1CCOCC1
InChIInChI=1S/C12H16F2N2O3/c1-15-3-2-8(17)11(18)9(15)10(12(13)14)16-4-6-19-7-5-16/h2-3,10,12,18H,4-7H2,1H3
InChIKeyLIRQNJQYXKFGQQ-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.73
Rot. Bonds3

About 2-(2,2-difluoro-1-morpholin-4-ylethyl)-3-hydroxy-1-methylpyridin-4-one

2-(2,2-difluoro-1-morpholin-4-ylethyl)-3-hydroxy-1-methylpyridin-4-one (PubChem CID 126715449) has the molecular formula C12H16F2N2O3 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-(2,2-difluoro-1-morpholin-4-ylethyl)-3-hydroxy-1-methylpyridin-4-one.

Molecular Properties

Compound Name2-(2,2-difluoro-1-morpholin-4-ylethyl)-3-hydroxy-1-methylpyridin-4-one
PubChem CID126715449
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name2-(2,2-difluoro-1-morpholin-4-ylethyl)-3-hydroxy-1-methylpyridin-4-one
SMILESCn1ccc(=O)c(O)c1C(C(F)F)N1CCOCC1
InChIInChI=1S/C12H16F2N2O3/c1-15-3-2-8(17)11(18)9(15)10(12(13)14)16-4-6-19-7-5-16/h2-3,10,12,18H,4-7H2,1H3
InChIKeyLIRQNJQYXKFGQQ-UHFFFAOYSA-N
XLogP0.73
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1-morpholin-4-ylethyl)-3-hydroxy-1-methylpyridin-4-one?
The IUPAC name of 2-(2,2-difluoro-1-morpholin-4-ylethyl)-3-hydroxy-1-methylpyridin-4-one (CID 126715449) is 2-(2,2-difluoro-1-morpholin-4-ylethyl)-3-hydroxy-1-methylpyridin-4-one.
What is the SMILES notation for 2-(2,2-difluoro-1-morpholin-4-ylethyl)-3-hydroxy-1-methylpyridin-4-one?
The canonical SMILES for 2-(2,2-difluoro-1-morpholin-4-ylethyl)-3-hydroxy-1-methylpyridin-4-one is Cn1ccc(=O)c(O)c1C(C(F)F)N1CCOCC1.
What is the InChIKey of 2-(2,2-difluoro-1-morpholin-4-ylethyl)-3-hydroxy-1-methylpyridin-4-one?
The InChIKey is LIRQNJQYXKFGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c1-15-3-2-8(17)11(18)9(15)10(12(13)14)16-4-6-19-7-5-16/h2-3,10,12,18H,4-7H2,1H3.
What are the key properties of 2-(2,2-difluoro-1-morpholin-4-ylethyl)-3-hydroxy-1-methylpyridin-4-one?
2-(2,2-difluoro-1-morpholin-4-ylethyl)-3-hydroxy-1-methylpyridin-4-one has a molecular weight of 274.27 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1-morpholin-4-ylethyl)-3-hydroxy-1-methylpyridin-4-one is sourced from PubChem (CID 126715449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).