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

C10H13FN2O2 — CID 137450648

IUPAC3-amino-5-fluoro-1-(oxan-3-yl)pyridin-2-one
SMILESNc1cc(F)cn(C2CCCOC2)c1=O
InChIInChI=1S/C10H13FN2O2/c11-7-4-9(12)10(14)13(5-7)8-2-1-3-15-6-8/h4-5,8H,1-3,6,12H2
InChIKeyVQUBFPYVFCKCHN-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.92
Rot. Bonds1

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

3-amino-5-fluoro-1-(oxan-3-yl)pyridin-2-one (PubChem CID 137450648) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-amino-5-fluoro-1-(oxan-3-yl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-fluoro-1-(oxan-3-yl)pyridin-2-one
PubChem CID137450648
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name3-amino-5-fluoro-1-(oxan-3-yl)pyridin-2-one
SMILESNc1cc(F)cn(C2CCCOC2)c1=O
InChIInChI=1S/C10H13FN2O2/c11-7-4-9(12)10(14)13(5-7)8-2-1-3-15-6-8/h4-5,8H,1-3,6,12H2
InChIKeyVQUBFPYVFCKCHN-UHFFFAOYSA-N
XLogP0.92
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-fluoro-1-(oxan-3-yl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-1-(oxan-3-yl)pyridin-2-one?
The IUPAC name of 3-amino-5-fluoro-1-(oxan-3-yl)pyridin-2-one (CID 137450648) is 3-amino-5-fluoro-1-(oxan-3-yl)pyridin-2-one.
What is the SMILES notation for 3-amino-5-fluoro-1-(oxan-3-yl)pyridin-2-one?
The canonical SMILES for 3-amino-5-fluoro-1-(oxan-3-yl)pyridin-2-one is Nc1cc(F)cn(C2CCCOC2)c1=O.
What is the InChIKey of 3-amino-5-fluoro-1-(oxan-3-yl)pyridin-2-one?
The InChIKey is VQUBFPYVFCKCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c11-7-4-9(12)10(14)13(5-7)8-2-1-3-15-6-8/h4-5,8H,1-3,6,12H2.
What are the key properties of 3-amino-5-fluoro-1-(oxan-3-yl)pyridin-2-one?
3-amino-5-fluoro-1-(oxan-3-yl)pyridin-2-one has a molecular weight of 212.22 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-1-(oxan-3-yl)pyridin-2-one is sourced from PubChem (CID 137450648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).