5-bromo-7-nitroquinoxaline-2,3-dione

C8H2BrN3O4 — CID 18706458

IUPAC5-bromo-7-nitroquinoxaline-2,3-dione
SMILESO=C1N=c2cc([N+](=O)[O-])cc(Br)c2=NC1=O
InChIInChI=1S/C8H2BrN3O4/c9-4-1-3(12(15)16)2-5-6(4)11-8(14)7(13)10-5/h1-2H
InChIKeyOJFAXVDHWKWJOP-UHFFFAOYSA-N
MW284.03 g/mol
LogP-0.34
Rot. Bonds1

About 5-bromo-7-nitroquinoxaline-2,3-dione

5-bromo-7-nitroquinoxaline-2,3-dione (PubChem CID 18706458) has the molecular formula C8H2BrN3O4 and a molecular weight of 284.03 g/mol. Its IUPAC name is 5-bromo-7-nitroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5-bromo-7-nitroquinoxaline-2,3-dione
PubChem CID18706458
Molecular FormulaC8H2BrN3O4
Molecular Weight284.03 g/mol
Exact Mass282.92
IUPAC Name5-bromo-7-nitroquinoxaline-2,3-dione
SMILESO=C1N=c2cc([N+](=O)[O-])cc(Br)c2=NC1=O
InChIInChI=1S/C8H2BrN3O4/c9-4-1-3(12(15)16)2-5-6(4)11-8(14)7(13)10-5/h1-2H
InChIKeyOJFAXVDHWKWJOP-UHFFFAOYSA-N
XLogP-0.34
TPSA102.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 5-0.34
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-bromo-7-nitroquinoxaline-2,3-dione?
The IUPAC name of 5-bromo-7-nitroquinoxaline-2,3-dione (CID 18706458) is 5-bromo-7-nitroquinoxaline-2,3-dione.
What is the SMILES notation for 5-bromo-7-nitroquinoxaline-2,3-dione?
The canonical SMILES for 5-bromo-7-nitroquinoxaline-2,3-dione is O=C1N=c2cc([N+](=O)[O-])cc(Br)c2=NC1=O.
What is the InChIKey of 5-bromo-7-nitroquinoxaline-2,3-dione?
The InChIKey is OJFAXVDHWKWJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrN3O4/c9-4-1-3(12(15)16)2-5-6(4)11-8(14)7(13)10-5/h1-2H.
What are the key properties of 5-bromo-7-nitroquinoxaline-2,3-dione?
5-bromo-7-nitroquinoxaline-2,3-dione has a molecular weight of 284.03 g/mol, XLogP of -0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-nitroquinoxaline-2,3-dione is sourced from PubChem (CID 18706458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).