5-nitro-2,3-dipyridin-2-ylquinoxaline

C36H22N10O4 — CID 139058911

IUPAC5-nitro-2,3-dipyridin-2-ylquinoxaline
SMILESO=[N+]([O-])c1cccc2nc(-c3ccccn3)c(-c3ccccn3)nc12.O=[N+]([O-])c1cccc2nc(-c3ccccn3)c(-c3ccccn3)nc12
InChIInChI=1S/2C18H11N5O2/c2*24-23(25)15-9-5-8-14-16(15)22-18(13-7-2-4-11-20-13)17(21-14)12-6-1-3-10-19-12/h2*1-11H
InChIKeySJRKHTYUIZGMGT-UHFFFAOYSA-N
MW658.64 g/mol
LogP7.32
Rot. Bonds6

About 5-nitro-2,3-dipyridin-2-ylquinoxaline

5-nitro-2,3-dipyridin-2-ylquinoxaline (PubChem CID 139058911) has the molecular formula C36H22N10O4 and a molecular weight of 658.64 g/mol. Its IUPAC name is 5-nitro-2,3-dipyridin-2-ylquinoxaline.

Molecular Properties

Compound Name5-nitro-2,3-dipyridin-2-ylquinoxaline
PubChem CID139058911
Molecular FormulaC36H22N10O4
Molecular Weight658.64 g/mol
Exact Mass658.18
IUPAC Name5-nitro-2,3-dipyridin-2-ylquinoxaline
SMILESO=[N+]([O-])c1cccc2nc(-c3ccccn3)c(-c3ccccn3)nc12.O=[N+]([O-])c1cccc2nc(-c3ccccn3)c(-c3ccccn3)nc12
InChIInChI=1S/2C18H11N5O2/c2*24-23(25)15-9-5-8-14-16(15)22-18(13-7-2-4-11-20-13)17(21-14)12-6-1-3-10-19-12/h2*1-11H
InChIKeySJRKHTYUIZGMGT-UHFFFAOYSA-N
XLogP7.32
TPSA189.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500658.64
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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CID 2885420
6-Nitro-2,3-bis(2-pyridyl)quinoxaline
CID 391175
N-(2-(Bis((pyridin-2-yl)methyl)amino)ethyl)-7-nitro-N-((pyridin-2-yl)methyl)benzo[c][1,2,5]oxadiazole-4-amine
CID 44632861
Iron(2+), tris(5-nitro-1,10-phenanthroline-kappaN1,kappaN10)-, sulfate (1:1)
CID 90241
Ruthenium-tris-1,4,5,8-tetraazaphenanthrene
CID 174668
5-Nitro-2,3-bis-(2-pyridyl)quinoxaline
CID 14515141
2,3,7,8-Tetra-2-pyridylpyrazino [2,3-g]quinoxaline
CID 15553512
Ferrous, tris(5-nitro-1,10-phenanthroline)-, diperchlorate
CID 84890
6,7-Dinitro-2,3-dipyridin-2-ylquinoxaline
CID 11710529
11-Nitrodipyrido[3,2-a:2',3'-c]phenazine
CID 10520237
Phenazine;bis(1,3,5-trinitrobenzene)
CID 85838125
7-Nitrodipyrido[3,2-a:2',3'-c]phenazine
CID 91615154

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2,3-dipyridin-2-ylquinoxaline?
The IUPAC name of 5-nitro-2,3-dipyridin-2-ylquinoxaline (CID 139058911) is 5-nitro-2,3-dipyridin-2-ylquinoxaline.
What is the SMILES notation for 5-nitro-2,3-dipyridin-2-ylquinoxaline?
The canonical SMILES for 5-nitro-2,3-dipyridin-2-ylquinoxaline is O=[N+]([O-])c1cccc2nc(-c3ccccn3)c(-c3ccccn3)nc12.O=[N+]([O-])c1cccc2nc(-c3ccccn3)c(-c3ccccn3)nc12.
What is the InChIKey of 5-nitro-2,3-dipyridin-2-ylquinoxaline?
The InChIKey is SJRKHTYUIZGMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H11N5O2/c2*24-23(25)15-9-5-8-14-16(15)22-18(13-7-2-4-11-20-13)17(21-14)12-6-1-3-10-19-12/h2*1-11H.
What are the key properties of 5-nitro-2,3-dipyridin-2-ylquinoxaline?
5-nitro-2,3-dipyridin-2-ylquinoxaline has a molecular weight of 658.64 g/mol, XLogP of 7.32, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2,3-dipyridin-2-ylquinoxaline is sourced from PubChem (CID 139058911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).