5-nitroquinoxaline-2,3-dione

C8H3N3O4 — CID 22155144

IUPAC5-nitroquinoxaline-2,3-dione
SMILESO=C1N=c2cccc([N+](=O)[O-])c2=NC1=O
InChIInChI=1S/C8H3N3O4/c12-7-8(13)10-6-4(9-7)2-1-3-5(6)11(14)15/h1-3H
InChIKeyAOWDOWTZGBQMNB-UHFFFAOYSA-N
MW205.13 g/mol
LogP-1.10
Rot. Bonds1

About 5-nitroquinoxaline-2,3-dione

5-nitroquinoxaline-2,3-dione (PubChem CID 22155144) has the molecular formula C8H3N3O4 and a molecular weight of 205.13 g/mol. Its IUPAC name is 5-nitroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5-nitroquinoxaline-2,3-dione
PubChem CID22155144
Molecular FormulaC8H3N3O4
Molecular Weight205.13 g/mol
Exact Mass205.01
IUPAC Name5-nitroquinoxaline-2,3-dione
SMILESO=C1N=c2cccc([N+](=O)[O-])c2=NC1=O
InChIInChI=1S/C8H3N3O4/c12-7-8(13)10-6-4(9-7)2-1-3-5(6)11(14)15/h1-3H
InChIKeyAOWDOWTZGBQMNB-UHFFFAOYSA-N
XLogP-1.10
TPSA102.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitroquinoxaline-2,3-dione?
The IUPAC name of 5-nitroquinoxaline-2,3-dione (CID 22155144) is 5-nitroquinoxaline-2,3-dione.
What is the SMILES notation for 5-nitroquinoxaline-2,3-dione?
The canonical SMILES for 5-nitroquinoxaline-2,3-dione is O=C1N=c2cccc([N+](=O)[O-])c2=NC1=O.
What is the InChIKey of 5-nitroquinoxaline-2,3-dione?
The InChIKey is AOWDOWTZGBQMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3N3O4/c12-7-8(13)10-6-4(9-7)2-1-3-5(6)11(14)15/h1-3H.
What are the key properties of 5-nitroquinoxaline-2,3-dione?
5-nitroquinoxaline-2,3-dione has a molecular weight of 205.13 g/mol, XLogP of -1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroquinoxaline-2,3-dione is sourced from PubChem (CID 22155144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).