4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine

C21H14N4O2 — CID 12990785

IUPAC4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
SMILESO=[N+]([O-])c1cccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C21H14N4O2/c26-25(27)17-7-5-6-15(12-17)16-13-20(18-8-1-3-10-22-18)24-21(14-16)19-9-2-4-11-23-19/h1-14H
InChIKeyGLNZHKNBOZBSPS-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.78
Rot. Bonds4

About 4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine

4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine (PubChem CID 12990785) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
PubChem CID12990785
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC Name4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
SMILESO=[N+]([O-])c1cccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C21H14N4O2/c26-25(27)17-7-5-6-15(12-17)16-13-20(18-8-1-3-10-22-18)24-21(14-16)19-9-2-4-11-23-19/h1-14H
InChIKeyGLNZHKNBOZBSPS-UHFFFAOYSA-N
XLogP4.78
TPSA81.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile
CID 21195130
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 91398479
4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 22359756
4-(3,5-dipyridin-2-ylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
CID 23528039
2,6-diphenyl-4-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine
CID 140587116
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
4-(3-nitrophenyl)-2,6-bis(1-oxidopyridin-1-ium-2-yl)pyridine
CID 54458000
4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine
CID 11417084
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine (CID 12990785) is 4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine is O=[N+]([O-])c1cccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.
What is the InChIKey of 4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine?
The InChIKey is GLNZHKNBOZBSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c26-25(27)17-7-5-6-15(12-17)16-13-20(18-8-1-3-10-22-18)24-21(14-16)19-9-2-4-11-23-19/h1-14H.
What are the key properties of 4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine?
4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine has a molecular weight of 354.37 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 12990785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).