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

C13H18F2N2O — CID 171826164

IUPAC5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(3-fluoropropyl)pyridin-2-one
SMILESO=c1ccc(CCN2CC(F)C2)cn1CCCF
InChIInChI=1S/C13H18F2N2O/c14-5-1-6-17-8-11(2-3-13(17)18)4-7-16-9-12(15)10-16/h2-3,8,12H,1,4-7,9-10H2
InChIKeySIRPFZXMTBJCBZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.40
Rot. Bonds6

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

5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(3-fluoropropyl)pyridin-2-one (PubChem CID 171826164) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(3-fluoropropyl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(3-fluoropropyl)pyridin-2-one
PubChem CID171826164
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(3-fluoropropyl)pyridin-2-one
SMILESO=c1ccc(CCN2CC(F)C2)cn1CCCF
InChIInChI=1S/C13H18F2N2O/c14-5-1-6-17-8-11(2-3-13(17)18)4-7-16-9-12(15)10-16/h2-3,8,12H,1,4-7,9-10H2
InChIKeySIRPFZXMTBJCBZ-UHFFFAOYSA-N
XLogP1.40
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(3-fluoropropyl)pyridin-2-one?
The IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(3-fluoropropyl)pyridin-2-one (CID 171826164) is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(3-fluoropropyl)pyridin-2-one.
What is the SMILES notation for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(3-fluoropropyl)pyridin-2-one?
The canonical SMILES for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(3-fluoropropyl)pyridin-2-one is O=c1ccc(CCN2CC(F)C2)cn1CCCF.
What is the InChIKey of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(3-fluoropropyl)pyridin-2-one?
The InChIKey is SIRPFZXMTBJCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-5-1-6-17-8-11(2-3-13(17)18)4-7-16-9-12(15)10-16/h2-3,8,12H,1,4-7,9-10H2.
What are the key properties of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(3-fluoropropyl)pyridin-2-one?
5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(3-fluoropropyl)pyridin-2-one has a molecular weight of 256.30 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-1-(3-fluoropropyl)pyridin-2-one is sourced from PubChem (CID 171826164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).