4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one

C9H9BrFN3O — CID 104918758

IUPAC4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one
SMILESO=C1CN(c2ncc(Br)cc2F)CCN1
InChIInChI=1S/C9H9BrFN3O/c10-6-3-7(11)9(13-4-6)14-2-1-12-8(15)5-14/h3-4H,1-2,5H2,(H,12,15)
InChIKeyYISUUJPDTBBQLD-UHFFFAOYSA-N
MW274.09 g/mol
LogP0.92
Rot. Bonds1

About 4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one

4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one (PubChem CID 104918758) has the molecular formula C9H9BrFN3O and a molecular weight of 274.09 g/mol. Its IUPAC name is 4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one
PubChem CID104918758
Molecular FormulaC9H9BrFN3O
Molecular Weight274.09 g/mol
Exact Mass272.99
IUPAC Name4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one
SMILESO=C1CN(c2ncc(Br)cc2F)CCN1
InChIInChI=1S/C9H9BrFN3O/c10-6-3-7(11)9(13-4-6)14-2-1-12-8(15)5-14/h3-4H,1-2,5H2,(H,12,15)
InChIKeyYISUUJPDTBBQLD-UHFFFAOYSA-N
XLogP0.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-fluoro-2-pyridinyl)azepane
CID 104918629
1-(5-bromo-3-fluoro-2-pyridinyl)-N-methoxyazetidin-3-imine
CID 126561906
5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile
CID 122160364
1-(5-bromo-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol
CID 104924643
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
CID 80763945
4-(5-chloro-3-fluoro-2-pyridinyl)piperazine-2,6-dione
CID 79727997
4-[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 166601581
4-(5-aminopyrimidin-4-yl)piperazin-2-one
CID 79910176
5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine
CID 104919102
4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one
CID 62143361
4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one
CID 103726622
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol
CID 104918893

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one?
The IUPAC name of 4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one (CID 104918758) is 4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one.
What is the SMILES notation for 4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one?
The canonical SMILES for 4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one is O=C1CN(c2ncc(Br)cc2F)CCN1.
What is the InChIKey of 4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one?
The InChIKey is YISUUJPDTBBQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN3O/c10-6-3-7(11)9(13-4-6)14-2-1-12-8(15)5-14/h3-4H,1-2,5H2,(H,12,15).
What are the key properties of 4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one?
4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one has a molecular weight of 274.09 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one is sourced from PubChem (CID 104918758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).