1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione

C9H7BrN2O2 — CID 130486103

IUPAC1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione
SMILESO=C1CCN(c2cncc(Br)c2)C1=O
InChIInChI=1S/C9H7BrN2O2/c10-6-3-7(5-11-4-6)12-2-1-8(13)9(12)14/h3-5H,1-2H2
InChIKeyJEAYTOSPMORAFI-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.15
Rot. Bonds1

About 1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione

1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione (PubChem CID 130486103) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione
PubChem CID130486103
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione
SMILESO=C1CCN(c2cncc(Br)c2)C1=O
InChIInChI=1S/C9H7BrN2O2/c10-6-3-7(5-11-4-6)12-2-1-8(13)9(12)14/h3-5H,1-2H2
InChIKeyJEAYTOSPMORAFI-UHFFFAOYSA-N
XLogP1.15
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione (CID 130486103) is 1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione is O=C1CCN(c2cncc(Br)c2)C1=O.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione?
The InChIKey is JEAYTOSPMORAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c10-6-3-7(5-11-4-6)12-2-1-8(13)9(12)14/h3-5H,1-2H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione?
1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione has a molecular weight of 255.07 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 130486103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).