2,4,6-tris(4-nitrophenyl)pyridine

C23H14N4O6 — CID 86181900

IUPAC2,4,6-tris(4-nitrophenyl)pyridine
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccc([N+](=O)[O-])cc3)c2)cc1
InChIInChI=1S/C23H14N4O6/c28-25(29)19-7-1-15(2-8-19)18-13-22(16-3-9-20(10-4-16)26(30)31)24-23(14-18)17-5-11-21(12-6-17)27(32)33/h1-14H
InChIKeyRVVFDUUDCPTMMC-UHFFFAOYSA-N
MW442.39 g/mol
LogP5.81
Rot. Bonds6

About 2,4,6-tris(4-nitrophenyl)pyridine

2,4,6-tris(4-nitrophenyl)pyridine (PubChem CID 86181900) has the molecular formula C23H14N4O6 and a molecular weight of 442.39 g/mol. Its IUPAC name is 2,4,6-tris(4-nitrophenyl)pyridine.

Molecular Properties

Compound Name2,4,6-tris(4-nitrophenyl)pyridine
PubChem CID86181900
Molecular FormulaC23H14N4O6
Molecular Weight442.39 g/mol
Exact Mass442.09
IUPAC Name2,4,6-tris(4-nitrophenyl)pyridine
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccc([N+](=O)[O-])cc3)c2)cc1
InChIInChI=1S/C23H14N4O6/c28-25(29)19-7-1-15(2-8-19)18-13-22(16-3-9-20(10-4-16)26(30)31)24-23(14-18)17-5-11-21(12-6-17)27(32)33/h1-14H
InChIKeyRVVFDUUDCPTMMC-UHFFFAOYSA-N
XLogP5.81
TPSA142.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.39
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(4-nitrophenyl)pyridine?
The IUPAC name of 2,4,6-tris(4-nitrophenyl)pyridine (CID 86181900) is 2,4,6-tris(4-nitrophenyl)pyridine.
What is the SMILES notation for 2,4,6-tris(4-nitrophenyl)pyridine?
The canonical SMILES for 2,4,6-tris(4-nitrophenyl)pyridine is O=[N+]([O-])c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccc([N+](=O)[O-])cc3)c2)cc1.
What is the InChIKey of 2,4,6-tris(4-nitrophenyl)pyridine?
The InChIKey is RVVFDUUDCPTMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N4O6/c28-25(29)19-7-1-15(2-8-19)18-13-22(16-3-9-20(10-4-16)26(30)31)24-23(14-18)17-5-11-21(12-6-17)27(32)33/h1-14H.
What are the key properties of 2,4,6-tris(4-nitrophenyl)pyridine?
2,4,6-tris(4-nitrophenyl)pyridine has a molecular weight of 442.39 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-nitrophenyl)pyridine is sourced from PubChem (CID 86181900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).