2,3,4,5-tetranitropyridine

C5HN5O8 — CID 135563868

IUPAC2,3,4,5-tetranitropyridine
SMILESO=[N+]([O-])c1cnc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C5HN5O8/c11-7(12)2-1-6-5(10(17)18)4(9(15)16)3(2)8(13)14/h1H
InChIKeyUHTDATQVIGYQMZ-UHFFFAOYSA-N
MW259.09 g/mol
LogP0.71
Rot. Bonds4

About 2,3,4,5-tetranitropyridine

2,3,4,5-tetranitropyridine (PubChem CID 135563868) has the molecular formula C5HN5O8 and a molecular weight of 259.09 g/mol. Its IUPAC name is 2,3,4,5-tetranitropyridine.

Molecular Properties

Compound Name2,3,4,5-tetranitropyridine
PubChem CID135563868
Molecular FormulaC5HN5O8
Molecular Weight259.09 g/mol
Exact Mass258.98
IUPAC Name2,3,4,5-tetranitropyridine
SMILESO=[N+]([O-])c1cnc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C5HN5O8/c11-7(12)2-1-6-5(10(17)18)4(9(15)16)3(2)8(13)14/h1H
InChIKeyUHTDATQVIGYQMZ-UHFFFAOYSA-N
XLogP0.71
TPSA185.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 2,3,4,5-tetranitropyridine?
The IUPAC name of 2,3,4,5-tetranitropyridine (CID 135563868) is 2,3,4,5-tetranitropyridine.
What is the SMILES notation for 2,3,4,5-tetranitropyridine?
The canonical SMILES for 2,3,4,5-tetranitropyridine is O=[N+]([O-])c1cnc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-].
What is the InChIKey of 2,3,4,5-tetranitropyridine?
The InChIKey is UHTDATQVIGYQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HN5O8/c11-7(12)2-1-6-5(10(17)18)4(9(15)16)3(2)8(13)14/h1H.
What are the key properties of 2,3,4,5-tetranitropyridine?
2,3,4,5-tetranitropyridine has a molecular weight of 259.09 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetranitropyridine is sourced from PubChem (CID 135563868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).