5-fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one

C11H15FN2O2 — CID 137449459

IUPAC5-fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one
SMILESCNc1cc(F)cn(C2CCCOC2)c1=O
InChIInChI=1S/C11H15FN2O2/c1-13-10-5-8(12)6-14(11(10)15)9-3-2-4-16-7-9/h5-6,9,13H,2-4,7H2,1H3
InChIKeyMMEIRFZLBLJKBN-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.38
Rot. Bonds2

About 5-fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one

5-fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one (PubChem CID 137449459) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one
PubChem CID137449459
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name5-fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one
SMILESCNc1cc(F)cn(C2CCCOC2)c1=O
InChIInChI=1S/C11H15FN2O2/c1-13-10-5-8(12)6-14(11(10)15)9-3-2-4-16-7-9/h5-6,9,13H,2-4,7H2,1H3
InChIKeyMMEIRFZLBLJKBN-UHFFFAOYSA-N
XLogP1.38
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one?
The IUPAC name of 5-fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one (CID 137449459) is 5-fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one?
The canonical SMILES for 5-fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one is CNc1cc(F)cn(C2CCCOC2)c1=O.
What is the InChIKey of 5-fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one?
The InChIKey is MMEIRFZLBLJKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-13-10-5-8(12)6-14(11(10)15)9-3-2-4-16-7-9/h5-6,9,13H,2-4,7H2,1H3.
What are the key properties of 5-fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one?
5-fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one has a molecular weight of 226.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(methylamino)-1-(oxan-3-yl)pyridin-2-one is sourced from PubChem (CID 137449459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).