6,7-dinitroquinoxaline

C8H4N4O4 — CID 2724608

IUPAC6,7-dinitroquinoxaline
SMILESO=[N+]([O-])c1cc2nccnc2cc1[N+](=O)[O-]
InChIInChI=1S/C8H4N4O4/c13-11(14)7-3-5-6(10-2-1-9-5)4-8(7)12(15)16/h1-4H
InChIKeyMRCFKNAXRGITFV-UHFFFAOYSA-N
MW220.14 g/mol
LogP1.45
Rot. Bonds2

About 6,7-dinitroquinoxaline

6,7-dinitroquinoxaline (PubChem CID 2724608) has the molecular formula C8H4N4O4 and a molecular weight of 220.14 g/mol. Its IUPAC name is 6,7-dinitroquinoxaline.

Molecular Properties

Compound Name6,7-dinitroquinoxaline
PubChem CID2724608
Molecular FormulaC8H4N4O4
Molecular Weight220.14 g/mol
Exact Mass220.02
IUPAC Name6,7-dinitroquinoxaline
SMILESO=[N+]([O-])c1cc2nccnc2cc1[N+](=O)[O-]
InChIInChI=1S/C8H4N4O4/c13-11(14)7-3-5-6(10-2-1-9-5)4-8(7)12(15)16/h1-4H
InChIKeyMRCFKNAXRGITFV-UHFFFAOYSA-N
XLogP1.45
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-7-nitroquinoxaline
CID 55271661
4-nitro-2H-triazolo[4,5-f]quinoxaline
CID 67754770
disodium;6,7-dinitroquinoxaline-2,3-diolate
CID 172966637
5-fluoro-6-nitroquinoxaline
CID 164822939
ethane;6-nitroquinoxaline
CID 143926485
1,5,6-trinitrobenzimidazole
CID 23250728
7-nitrofuro[3,2-b]pyridine
CID 10607098
1,1'-biphenyl;5-nitroquinoxaline
CID 174497247
7-methyl-5-nitroquinoline
CID 137347294
3-bromo-5,6-dinitro-2H-indazole
CID 138559785
2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine
CID 3834910
2,3-dinitropyridine;hydrazine
CID 175406944

Frequently Asked Questions

What is the IUPAC name of 6,7-dinitroquinoxaline?
The IUPAC name of 6,7-dinitroquinoxaline (CID 2724608) is 6,7-dinitroquinoxaline.
What is the SMILES notation for 6,7-dinitroquinoxaline?
The canonical SMILES for 6,7-dinitroquinoxaline is O=[N+]([O-])c1cc2nccnc2cc1[N+](=O)[O-].
What is the InChIKey of 6,7-dinitroquinoxaline?
The InChIKey is MRCFKNAXRGITFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O4/c13-11(14)7-3-5-6(10-2-1-9-5)4-8(7)12(15)16/h1-4H.
What are the key properties of 6,7-dinitroquinoxaline?
6,7-dinitroquinoxaline has a molecular weight of 220.14 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dinitroquinoxaline is sourced from PubChem (CID 2724608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).