iron(4+);nitroxyl anion;pentacyanide

C5FeN6O-2 — CID 140862411

IUPACiron(4+);nitroxyl anion;pentacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+4].[N-]=O
InChIInChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q5*-1;+4;-1
InChIKeyPAORBFBZBNPTCL-UHFFFAOYSA-N
MW215.94 g/mol
LogP0.80
Rot. Bonds

About iron(4+);nitroxyl anion;pentacyanide

iron(4+);nitroxyl anion;pentacyanide (PubChem CID 140862411) has the molecular formula C5FeN6O-2 and a molecular weight of 215.94 g/mol. Its IUPAC name is iron(4+);nitroxyl anion;pentacyanide.

Molecular Properties

Compound Nameiron(4+);nitroxyl anion;pentacyanide
PubChem CID140862411
Molecular FormulaC5FeN6O-2
Molecular Weight215.94 g/mol
Exact Mass215.95
IUPAC Nameiron(4+);nitroxyl anion;pentacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+4].[N-]=O
InChIInChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q5*-1;+4;-1
InChIKeyPAORBFBZBNPTCL-UHFFFAOYSA-N
XLogP0.80
TPSA158.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.94
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron(4+);nitroxyl anion;pentacyanide?
The IUPAC name of iron(4+);nitroxyl anion;pentacyanide (CID 140862411) is iron(4+);nitroxyl anion;pentacyanide.
What is the SMILES notation for iron(4+);nitroxyl anion;pentacyanide?
The canonical SMILES for iron(4+);nitroxyl anion;pentacyanide is [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+4].[N-]=O.
What is the InChIKey of iron(4+);nitroxyl anion;pentacyanide?
The InChIKey is PAORBFBZBNPTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q5*-1;+4;-1.
What are the key properties of iron(4+);nitroxyl anion;pentacyanide?
iron(4+);nitroxyl anion;pentacyanide has a molecular weight of 215.94 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iron(4+);nitroxyl anion;pentacyanide is sourced from PubChem (CID 140862411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).