3-amino-5-fluoro-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one

C10H13F2N3O — CID 130267768

IUPAC3-amino-5-fluoro-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one
SMILESNc1cc(F)cn(CCN2CC(F)C2)c1=O
InChIInChI=1S/C10H13F2N3O/c11-7-3-9(13)10(16)15(6-7)2-1-14-4-8(12)5-14/h3,6,8H,1-2,4-5,13H2
InChIKeyCVSWNSNMYUYWRY-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.22
Rot. Bonds3

About 3-amino-5-fluoro-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one

3-amino-5-fluoro-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one (PubChem CID 130267768) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-amino-5-fluoro-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-fluoro-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one
PubChem CID130267768
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name3-amino-5-fluoro-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one
SMILESNc1cc(F)cn(CCN2CC(F)C2)c1=O
InChIInChI=1S/C10H13F2N3O/c11-7-3-9(13)10(16)15(6-7)2-1-14-4-8(12)5-14/h3,6,8H,1-2,4-5,13H2
InChIKeyCVSWNSNMYUYWRY-UHFFFAOYSA-N
XLogP0.22
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 3-amino-5-fluoro-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one (CID 130267768) is 3-amino-5-fluoro-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-amino-5-fluoro-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 3-amino-5-fluoro-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one is Nc1cc(F)cn(CCN2CC(F)C2)c1=O.
What is the InChIKey of 3-amino-5-fluoro-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is CVSWNSNMYUYWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-7-3-9(13)10(16)15(6-7)2-1-14-4-8(12)5-14/h3,6,8H,1-2,4-5,13H2.
What are the key properties of 3-amino-5-fluoro-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one?
3-amino-5-fluoro-1-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 229.23 g/mol, XLogP of 0.22, 3 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-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 130267768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).