iodanium;zinc;triiodide

H2I4Zn — CID 172845539

IUPACiodanium;zinc;triiodide
SMILES[I-].[I-].[I-].[IH2+].[Zn+2]
InChIInChI=1S/H2I.3HI.Zn/h1H2;3*1H;/q+1;;;;+2/p-3
InChIKeyQNPBUHBXCZYLTR-UHFFFAOYSA-K
MW575.02 g/mol
LogP-12.52
Rot. Bonds

About iodanium;zinc;triiodide

iodanium;zinc;triiodide (PubChem CID 172845539) has the molecular formula H2I4Zn and a molecular weight of 575.02 g/mol. Its IUPAC name is iodanium;zinc;triiodide.

Molecular Properties

Compound Nameiodanium;zinc;triiodide
PubChem CID172845539
Molecular FormulaH2I4Zn
Molecular Weight575.02 g/mol
Exact Mass573.56
IUPAC Nameiodanium;zinc;triiodide
SMILES[I-].[I-].[I-].[IH2+].[Zn+2]
InChIInChI=1S/H2I.3HI.Zn/h1H2;3*1H;/q+1;;;;+2/p-3
InChIKeyQNPBUHBXCZYLTR-UHFFFAOYSA-K
XLogP-12.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.02
LogP ≤ 5-12.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iodanium;zinc;triiodide?
The IUPAC name of iodanium;zinc;triiodide (CID 172845539) is iodanium;zinc;triiodide.
What is the SMILES notation for iodanium;zinc;triiodide?
The canonical SMILES for iodanium;zinc;triiodide is [I-].[I-].[I-].[IH2+].[Zn+2].
What is the InChIKey of iodanium;zinc;triiodide?
The InChIKey is QNPBUHBXCZYLTR-UHFFFAOYSA-K. The full InChI is InChI=1S/H2I.3HI.Zn/h1H2;3*1H;/q+1;;;;+2/p-3.
What are the key properties of iodanium;zinc;triiodide?
iodanium;zinc;triiodide has a molecular weight of 575.02 g/mol, XLogP of -12.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodanium;zinc;triiodide is sourced from PubChem (CID 172845539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).