6,7-dinitro-2,3-dipyridin-2-ylquinoxaline

C18H10N6O4 — CID 11710529

IUPAC6,7-dinitro-2,3-dipyridin-2-ylquinoxaline
SMILESO=[N+]([O-])c1cc2nc(-c3ccccn3)c(-c3ccccn3)nc2cc1[N+](=O)[O-]
InChIInChI=1S/C18H10N6O4/c25-23(26)15-9-13-14(10-16(15)24(27)28)22-18(12-6-2-4-8-20-12)17(21-13)11-5-1-3-7-19-11/h1-10H
InChIKeySQBPARTXVGCYPK-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.57
Rot. Bonds4

About 6,7-dinitro-2,3-dipyridin-2-ylquinoxaline

6,7-dinitro-2,3-dipyridin-2-ylquinoxaline (PubChem CID 11710529) has the molecular formula C18H10N6O4 and a molecular weight of 374.32 g/mol. Its IUPAC name is 6,7-dinitro-2,3-dipyridin-2-ylquinoxaline.

Molecular Properties

Compound Name6,7-dinitro-2,3-dipyridin-2-ylquinoxaline
PubChem CID11710529
Molecular FormulaC18H10N6O4
Molecular Weight374.32 g/mol
Exact Mass374.08
IUPAC Name6,7-dinitro-2,3-dipyridin-2-ylquinoxaline
SMILESO=[N+]([O-])c1cc2nc(-c3ccccn3)c(-c3ccccn3)nc2cc1[N+](=O)[O-]
InChIInChI=1S/C18H10N6O4/c25-23(26)15-9-13-14(10-16(15)24(27)28)22-18(12-6-2-4-8-20-12)17(21-13)11-5-1-3-7-19-11/h1-10H
InChIKeySQBPARTXVGCYPK-UHFFFAOYSA-N
XLogP3.57
TPSA137.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.57
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

5-Nitro-1,10-phenanthroline
CID 72790
Quinoxaline, 6-nitro-
CID 96029
2,3-Bis(2-pyridyl)quinoxaline
CID 97023
8-(4-Methylpiperazin-1-yl)-5-nitroquinoline
CID 2829619
2-Methyl-4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]quinoline
CID 2885420
2-Methyl-6-nitroquinoxaline
CID 824610
3-Methyl-6-nitro-1,10-phenanthroline
CID 153699372
N-quinoxalin-5-ylquinoxalin-5-amine
CID 2913620
8-(3-Nitro-phenyl)-6-pyridin-3-yl-[1,7]naphthyridine
CID 10664015
4-[4-(4-Nitrophenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline
CID 73347281
5-Nitro-8-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline
CID 2868036
6,7-Dinitroquinoxaline
CID 2724608

Frequently Asked Questions

What is the IUPAC name of 6,7-dinitro-2,3-dipyridin-2-ylquinoxaline?
The IUPAC name of 6,7-dinitro-2,3-dipyridin-2-ylquinoxaline (CID 11710529) is 6,7-dinitro-2,3-dipyridin-2-ylquinoxaline.
What is the SMILES notation for 6,7-dinitro-2,3-dipyridin-2-ylquinoxaline?
The canonical SMILES for 6,7-dinitro-2,3-dipyridin-2-ylquinoxaline is O=[N+]([O-])c1cc2nc(-c3ccccn3)c(-c3ccccn3)nc2cc1[N+](=O)[O-].
What is the InChIKey of 6,7-dinitro-2,3-dipyridin-2-ylquinoxaline?
The InChIKey is SQBPARTXVGCYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N6O4/c25-23(26)15-9-13-14(10-16(15)24(27)28)22-18(12-6-2-4-8-20-12)17(21-13)11-5-1-3-7-19-11/h1-10H.
What are the key properties of 6,7-dinitro-2,3-dipyridin-2-ylquinoxaline?
6,7-dinitro-2,3-dipyridin-2-ylquinoxaline has a molecular weight of 374.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dinitro-2,3-dipyridin-2-ylquinoxaline is sourced from PubChem (CID 11710529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).