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

C11H15FN2O — CID 146189687

IUPAC1-ethyl-5-[(1-fluoroazetidin-3-yl)methyl]pyridin-2-one
SMILESCCn1cc(CC2CN(F)C2)ccc1=O
InChIInChI=1S/C11H15FN2O/c1-2-13-6-9(3-4-11(13)15)5-10-7-14(12)8-10/h3-4,6,10H,2,5,7-8H2,1H3
InChIKeyNWPAMYYLXRAIDB-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.23
Rot. Bonds3

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

1-ethyl-5-[(1-fluoroazetidin-3-yl)methyl]pyridin-2-one (PubChem CID 146189687) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-ethyl-5-[(1-fluoroazetidin-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[(1-fluoroazetidin-3-yl)methyl]pyridin-2-one
PubChem CID146189687
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name1-ethyl-5-[(1-fluoroazetidin-3-yl)methyl]pyridin-2-one
SMILESCCn1cc(CC2CN(F)C2)ccc1=O
InChIInChI=1S/C11H15FN2O/c1-2-13-6-9(3-4-11(13)15)5-10-7-14(12)8-10/h3-4,6,10H,2,5,7-8H2,1H3
InChIKeyNWPAMYYLXRAIDB-UHFFFAOYSA-N
XLogP1.23
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

5-[2-(3-Fluoroazetidin-1-yl)ethyl]-4-methyl-1-propan-2-ylpyridin-2-one
CID 146182789
5-[(1-Fluoroazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one
CID 146182791
5-[2-(3-Fluoroazetidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one
CID 146182798
4-[(3-Fluoro-1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one
CID 146182941
3-Fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(4-methylpentan-2-yl)pyridin-2-one
CID 156283252
5-[2-(3-Fluoroazetidin-1-yl)ethyl]-1-(4-methylpentan-2-yl)pyridin-2-one
CID 156283287
5-[2-(Azetidin-1-yl)ethyl]-1-(4-methylpentan-2-yl)-4-(trifluoromethyl)pyridin-2-one
CID 156283465
5-[2-(Dimethylamino)ethyl]-3-fluoro-1-(4-methylpentan-2-yl)pyridin-2-one
CID 156283789
1-Ethyl-5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridin-2-one
CID 156728192
5-[2-(3-Fluoroazetidin-1-yl)ethyl]-1-(3-fluoropropyl)pyridin-2-one
CID 171826164
5-[2-(Azetidin-1-yl)ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one
CID 176690535
1-Ethyl-3-fluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]pyridin-2-one
CID 176690556

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(1-fluoroazetidin-3-yl)methyl]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[(1-fluoroazetidin-3-yl)methyl]pyridin-2-one (CID 146189687) is 1-ethyl-5-[(1-fluoroazetidin-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[(1-fluoroazetidin-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[(1-fluoroazetidin-3-yl)methyl]pyridin-2-one is CCn1cc(CC2CN(F)C2)ccc1=O.
What is the InChIKey of 1-ethyl-5-[(1-fluoroazetidin-3-yl)methyl]pyridin-2-one?
The InChIKey is NWPAMYYLXRAIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-2-13-6-9(3-4-11(13)15)5-10-7-14(12)8-10/h3-4,6,10H,2,5,7-8H2,1H3.
What are the key properties of 1-ethyl-5-[(1-fluoroazetidin-3-yl)methyl]pyridin-2-one?
1-ethyl-5-[(1-fluoroazetidin-3-yl)methyl]pyridin-2-one has a molecular weight of 210.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(1-fluoroazetidin-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 146189687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).