3-fluoro-2-morpholin-4-yl-1H-pyridin-4-one

C9H11FN2O2 — CID 71300108

IUPAC3-fluoro-2-morpholin-4-yl-1H-pyridin-4-one
SMILESO=c1cc[nH]c(N2CCOCC2)c1F
InChIInChI=1S/C9H11FN2O2/c10-8-7(13)1-2-11-9(8)12-3-5-14-6-4-12/h1-2H,3-6H2,(H,11,13)
InChIKeyWKTXUGMKDNNHHE-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.35
Rot. Bonds1

About 3-fluoro-2-morpholin-4-yl-1H-pyridin-4-one

3-fluoro-2-morpholin-4-yl-1H-pyridin-4-one (PubChem CID 71300108) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 3-fluoro-2-morpholin-4-yl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-fluoro-2-morpholin-4-yl-1H-pyridin-4-one
PubChem CID71300108
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name3-fluoro-2-morpholin-4-yl-1H-pyridin-4-one
SMILESO=c1cc[nH]c(N2CCOCC2)c1F
InChIInChI=1S/C9H11FN2O2/c10-8-7(13)1-2-11-9(8)12-3-5-14-6-4-12/h1-2H,3-6H2,(H,11,13)
InChIKeyWKTXUGMKDNNHHE-UHFFFAOYSA-N
XLogP0.35
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-morpholin-4-yl-1H-pyridin-4-one?
The IUPAC name of 3-fluoro-2-morpholin-4-yl-1H-pyridin-4-one (CID 71300108) is 3-fluoro-2-morpholin-4-yl-1H-pyridin-4-one.
What is the SMILES notation for 3-fluoro-2-morpholin-4-yl-1H-pyridin-4-one?
The canonical SMILES for 3-fluoro-2-morpholin-4-yl-1H-pyridin-4-one is O=c1cc[nH]c(N2CCOCC2)c1F.
What is the InChIKey of 3-fluoro-2-morpholin-4-yl-1H-pyridin-4-one?
The InChIKey is WKTXUGMKDNNHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c10-8-7(13)1-2-11-9(8)12-3-5-14-6-4-12/h1-2H,3-6H2,(H,11,13).
What are the key properties of 3-fluoro-2-morpholin-4-yl-1H-pyridin-4-one?
3-fluoro-2-morpholin-4-yl-1H-pyridin-4-one has a molecular weight of 198.20 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-morpholin-4-yl-1H-pyridin-4-one is sourced from PubChem (CID 71300108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).