2,4-bis(4-nitrophenyl)-6-pyridin-2-ylpyridine

C22H14N4O4 — CID 102493601

IUPAC2,4-bis(4-nitrophenyl)-6-pyridin-2-ylpyridine
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C22H14N4O4/c27-25(28)18-8-4-15(5-9-18)17-13-21(16-6-10-19(11-7-16)26(29)30)24-22(14-17)20-3-1-2-12-23-20/h1-14H
InChIKeyZFKXEJANIGKVNM-UHFFFAOYSA-N
MW398.38 g/mol
LogP5.29
Rot. Bonds5

About 2,4-bis(4-nitrophenyl)-6-pyridin-2-ylpyridine

2,4-bis(4-nitrophenyl)-6-pyridin-2-ylpyridine (PubChem CID 102493601) has the molecular formula C22H14N4O4 and a molecular weight of 398.38 g/mol. Its IUPAC name is 2,4-bis(4-nitrophenyl)-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2,4-bis(4-nitrophenyl)-6-pyridin-2-ylpyridine
PubChem CID102493601
Molecular FormulaC22H14N4O4
Molecular Weight398.38 g/mol
Exact Mass398.10
IUPAC Name2,4-bis(4-nitrophenyl)-6-pyridin-2-ylpyridine
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C22H14N4O4/c27-25(28)18-8-4-15(5-9-18)17-13-21(16-6-10-19(11-7-16)26(29)30)24-22(14-17)20-3-1-2-12-23-20/h1-14H
InChIKeyZFKXEJANIGKVNM-UHFFFAOYSA-N
XLogP5.29
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.38
LogP ≤ 55.29
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

4-(4-Nitrobenzyl)pyridine
CID 14129
2-[(2,4-Dinitrophenyl)methyl]pyridine
CID 70854
6-(4-Pyridylmethyl)-8-(3-nitrophenyl)quinoline
CID 9819356
Pyridine, 2-((4-nitrophenyl)methyl)-
CID 69292
4-(4-Nitrophenyl)pyridine
CID 259219
2-(3-Nitrophenyl)pyridine
CID 459555
2-(4-Nitrophenyl)pyridine
CID 459556
2-[(E)-2-(4-nitrophenyl)vinyl]pyridine
CID 5376482
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
1-methyl-2-[(E)-2-(4-nitrophenyl)vinyl]pyridinium
CID 5722076
6-Phenyl-8-(3-nitrophenyl)-1,7-naphthyridine
CID 10711281
1-(4-Nitrophenyl)-4-(4-pyridinylmethyl)piperazine
CID 2845539

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-nitrophenyl)-6-pyridin-2-ylpyridine?
The IUPAC name of 2,4-bis(4-nitrophenyl)-6-pyridin-2-ylpyridine (CID 102493601) is 2,4-bis(4-nitrophenyl)-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2,4-bis(4-nitrophenyl)-6-pyridin-2-ylpyridine?
The canonical SMILES for 2,4-bis(4-nitrophenyl)-6-pyridin-2-ylpyridine is O=[N+]([O-])c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of 2,4-bis(4-nitrophenyl)-6-pyridin-2-ylpyridine?
The InChIKey is ZFKXEJANIGKVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O4/c27-25(28)18-8-4-15(5-9-18)17-13-21(16-6-10-19(11-7-16)26(29)30)24-22(14-17)20-3-1-2-12-23-20/h1-14H.
What are the key properties of 2,4-bis(4-nitrophenyl)-6-pyridin-2-ylpyridine?
2,4-bis(4-nitrophenyl)-6-pyridin-2-ylpyridine has a molecular weight of 398.38 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-nitrophenyl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 102493601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).