disodium;6,7-dinitroquinoxaline-2,3-diolate

C8H2N4Na2O6 — CID 172966637

IUPACdisodium;6,7-dinitroquinoxaline-2,3-diolate
SMILESO=[N+]([O-])c1cc2nc([O-])c([O-])nc2cc1[N+](=O)[O-].[Na+].[Na+]
InChIInChI=1S/C8H4N4O6.2Na/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7;;/h1-2H,(H,9,13)(H,10,14);;/q;2*+1/p-2
InChIKeyGPSBSOYURFUVKJ-UHFFFAOYSA-L
MW296.11 g/mol
LogP-6.40
Rot. Bonds2

About disodium;6,7-dinitroquinoxaline-2,3-diolate

disodium;6,7-dinitroquinoxaline-2,3-diolate (PubChem CID 172966637) has the molecular formula C8H2N4Na2O6 and a molecular weight of 296.11 g/mol. Its IUPAC name is disodium;6,7-dinitroquinoxaline-2,3-diolate.

Molecular Properties

Compound Namedisodium;6,7-dinitroquinoxaline-2,3-diolate
PubChem CID172966637
Molecular FormulaC8H2N4Na2O6
Molecular Weight296.11 g/mol
Exact Mass295.98
IUPAC Namedisodium;6,7-dinitroquinoxaline-2,3-diolate
SMILESO=[N+]([O-])c1cc2nc([O-])c([O-])nc2cc1[N+](=O)[O-].[Na+].[Na+]
InChIInChI=1S/C8H4N4O6.2Na/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7;;/h1-2H,(H,9,13)(H,10,14);;/q;2*+1/p-2
InChIKeyGPSBSOYURFUVKJ-UHFFFAOYSA-L
XLogP-6.40
TPSA158.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 5-6.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

6,7-dinitroquinoxaline
CID 2724608
2-N,2-N,3-N,3-N-tetraethyl-6,7-dinitroquinoxaline-2,3-diamine
CID 3834910
sodium 4-methyl-2-nitrophenolate
CID 12989561
sodium 4-methyl-2,6-dinitrophenolate
CID 102438433
2,3-dinitrohexacene
CID 101108857
1,5,6-trinitrobenzimidazole
CID 23250728
3-bromo-5,6-dinitro-2H-indazole
CID 138559785
6-methyl-7-nitroquinoxaline
CID 55271661
tri(propan-2-yl)-[2-[6,7,21,22-tetranitro-29-[2-tri(propan-2-yl)silylethynyl]-3,10,18,25-tetrazaoctacyclo[14.14.2.02,11.04,9.012,32.017,26.019,24.027,31]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaen-14-yl]ethynyl]silane
CID 122226167
1-bromo-2,4,5-trinitrobenzene
CID 13333986
6-methyl-5-nitro-2,1,3-benzothiadiazole
CID 19691924
7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 154700687

Frequently Asked Questions

What is the IUPAC name of disodium;6,7-dinitroquinoxaline-2,3-diolate?
The IUPAC name of disodium;6,7-dinitroquinoxaline-2,3-diolate (CID 172966637) is disodium;6,7-dinitroquinoxaline-2,3-diolate.
What is the SMILES notation for disodium;6,7-dinitroquinoxaline-2,3-diolate?
The canonical SMILES for disodium;6,7-dinitroquinoxaline-2,3-diolate is O=[N+]([O-])c1cc2nc([O-])c([O-])nc2cc1[N+](=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;6,7-dinitroquinoxaline-2,3-diolate?
The InChIKey is GPSBSOYURFUVKJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H4N4O6.2Na/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7;;/h1-2H,(H,9,13)(H,10,14);;/q;2*+1/p-2.
What are the key properties of disodium;6,7-dinitroquinoxaline-2,3-diolate?
disodium;6,7-dinitroquinoxaline-2,3-diolate has a molecular weight of 296.11 g/mol, XLogP of -6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;6,7-dinitroquinoxaline-2,3-diolate is sourced from PubChem (CID 172966637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).