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

C12H16F2N2O — CID 176690556

IUPAC1-ethyl-3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one
SMILESCCn1cc(CCN2CC(F)C2)cc(F)c1=O
InChIInChI=1S/C12H16F2N2O/c1-2-16-6-9(5-11(14)12(16)17)3-4-15-7-10(13)8-15/h5-6,10H,2-4,7-8H2,1H3
InChIKeyFXOGBJGLVHWCAX-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.20
Rot. Bonds4

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

1-ethyl-3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one (PubChem CID 176690556) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one
PubChem CID176690556
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name1-ethyl-3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one
SMILESCCn1cc(CCN2CC(F)C2)cc(F)c1=O
InChIInChI=1S/C12H16F2N2O/c1-2-16-6-9(5-11(14)12(16)17)3-4-15-7-10(13)8-15/h5-6,10H,2-4,7-8H2,1H3
InChIKeyFXOGBJGLVHWCAX-UHFFFAOYSA-N
XLogP1.20
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-ethyl-3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one (CID 176690556) is 1-ethyl-3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one is CCn1cc(CCN2CC(F)C2)cc(F)c1=O.
What is the InChIKey of 1-ethyl-3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is FXOGBJGLVHWCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-2-16-6-9(5-11(14)12(16)17)3-4-15-7-10(13)8-15/h5-6,10H,2-4,7-8H2,1H3.
What are the key properties of 1-ethyl-3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one?
1-ethyl-3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 242.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 176690556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).