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

C10H13FN2O — CID 139580012

IUPAC5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one
SMILESO=c1ccc(CCN2CC(F)C2)c[nH]1
InChIInChI=1S/C10H13FN2O/c11-9-6-13(7-9)4-3-8-1-2-10(14)12-5-8/h1-2,5,9H,3-4,6-7H2,(H,12,14)
InChIKeyWVHIPDQFTYZXMO-UHFFFAOYSA-N
MW196.22 g/mol
LogP0.57
Rot. Bonds3

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

5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one (PubChem CID 139580012) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one
PubChem CID139580012
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one
SMILESO=c1ccc(CCN2CC(F)C2)c[nH]1
InChIInChI=1S/C10H13FN2O/c11-9-6-13(7-9)4-3-8-1-2-10(14)12-5-8/h1-2,5,9H,3-4,6-7H2,(H,12,14)
InChIKeyWVHIPDQFTYZXMO-UHFFFAOYSA-N
XLogP0.57
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one?
The IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one (CID 139580012) is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one is O=c1ccc(CCN2CC(F)C2)c[nH]1.
What is the InChIKey of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one?
The InChIKey is WVHIPDQFTYZXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c11-9-6-13(7-9)4-3-8-1-2-10(14)12-5-8/h1-2,5,9H,3-4,6-7H2,(H,12,14).
What are the key properties of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one?
5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one has a molecular weight of 196.22 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 139580012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).