5-(5-bromo-3-pyridinyl)pyrazolidin-3-one

C8H8BrN3O — CID 77218999

IUPAC5-(5-bromo-3-pyridinyl)pyrazolidin-3-one
SMILESO=C1CC(c2cncc(Br)c2)NN1
InChIInChI=1S/C8H8BrN3O/c9-6-1-5(3-10-4-6)7-2-8(13)12-11-7/h1,3-4,7,11H,2H2,(H,12,13)
InChIKeyOMRUEMNOYLDEPH-UHFFFAOYSA-N
MW242.08 g/mol
LogP0.91
Rot. Bonds1

About 5-(5-bromo-3-pyridinyl)pyrazolidin-3-one

5-(5-bromo-3-pyridinyl)pyrazolidin-3-one (PubChem CID 77218999) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is 5-(5-bromo-3-pyridinyl)pyrazolidin-3-one.

Molecular Properties

Compound Name5-(5-bromo-3-pyridinyl)pyrazolidin-3-one
PubChem CID77218999
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name5-(5-bromo-3-pyridinyl)pyrazolidin-3-one
SMILESO=C1CC(c2cncc(Br)c2)NN1
InChIInChI=1S/C8H8BrN3O/c9-6-1-5(3-10-4-6)7-2-8(13)12-11-7/h1,3-4,7,11H,2H2,(H,12,13)
InChIKeyOMRUEMNOYLDEPH-UHFFFAOYSA-N
XLogP0.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-3-pyridinyl)pyrazolidin-3-one?
The IUPAC name of 5-(5-bromo-3-pyridinyl)pyrazolidin-3-one (CID 77218999) is 5-(5-bromo-3-pyridinyl)pyrazolidin-3-one.
What is the SMILES notation for 5-(5-bromo-3-pyridinyl)pyrazolidin-3-one?
The canonical SMILES for 5-(5-bromo-3-pyridinyl)pyrazolidin-3-one is O=C1CC(c2cncc(Br)c2)NN1.
What is the InChIKey of 5-(5-bromo-3-pyridinyl)pyrazolidin-3-one?
The InChIKey is OMRUEMNOYLDEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c9-6-1-5(3-10-4-6)7-2-8(13)12-11-7/h1,3-4,7,11H,2H2,(H,12,13).
What are the key properties of 5-(5-bromo-3-pyridinyl)pyrazolidin-3-one?
5-(5-bromo-3-pyridinyl)pyrazolidin-3-one has a molecular weight of 242.08 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-3-pyridinyl)pyrazolidin-3-one is sourced from PubChem (CID 77218999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).