sodium;hydride;iron(6+);nitroxyl anion;pentacyanide

C5HFeN6NaO — CID 173086359

IUPACsodium;hydride;iron(6+);nitroxyl anion;pentacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].[H-].[N-]=O.[Na+]
InChIInChI=1S/5CN.Fe.NO.Na.H/c5*1-2;;1-2;;/q5*-1;+6;-1;+1;-1
InChIKeyXUPPAMUCLHLJGE-UHFFFAOYSA-N
MW239.94 g/mol
LogP-2.08
Rot. Bonds

About sodium;hydride;iron(6+);nitroxyl anion;pentacyanide

sodium;hydride;iron(6+);nitroxyl anion;pentacyanide (PubChem CID 173086359) has the molecular formula C5HFeN6NaO and a molecular weight of 239.94 g/mol. Its IUPAC name is sodium;hydride;iron(6+);nitroxyl anion;pentacyanide.

Molecular Properties

Compound Namesodium;hydride;iron(6+);nitroxyl anion;pentacyanide
PubChem CID173086359
Molecular FormulaC5HFeN6NaO
Molecular Weight239.94 g/mol
Exact Mass239.95
IUPAC Namesodium;hydride;iron(6+);nitroxyl anion;pentacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].[H-].[N-]=O.[Na+]
InChIInChI=1S/5CN.Fe.NO.Na.H/c5*1-2;;1-2;;/q5*-1;+6;-1;+1;-1
InChIKeyXUPPAMUCLHLJGE-UHFFFAOYSA-N
XLogP-2.08
TPSA158.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.94
LogP ≤ 5-2.08
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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Related Compounds

trisodium;iron(3+);nitroxyl anion;pentacyanide
CID 173146033
tripotassium;sodium;hydride;iron(6+);hexacyanide
CID 174602379
iron(4+);nitroxyl anion;pentacyanide
CID 140862411
sodium;hydride;cyanide
CID 24940185
tripotassium;chromium(3+);nitroxyl anion;pentacyanide
CID 21144783
sodium;hydride;ruthenium(1+);cyanide
CID 174621752
sodium;cobalt;hydride;cyanide
CID 173391489
disodium;hydride;iron;cyanide
CID 174748463
sodium cyanide
CID 8929
tripotassium;cerium;hydride;iron(6+);hexacyanide
CID 174557778
potassium;hydride;iron;iron(6+);hexacyanide
CID 173004482
CID 153313457
CID 153313457

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;iron(6+);nitroxyl anion;pentacyanide?
The IUPAC name of sodium;hydride;iron(6+);nitroxyl anion;pentacyanide (CID 173086359) is sodium;hydride;iron(6+);nitroxyl anion;pentacyanide.
What is the SMILES notation for sodium;hydride;iron(6+);nitroxyl anion;pentacyanide?
The canonical SMILES for sodium;hydride;iron(6+);nitroxyl anion;pentacyanide is [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].[H-].[N-]=O.[Na+].
What is the InChIKey of sodium;hydride;iron(6+);nitroxyl anion;pentacyanide?
The InChIKey is XUPPAMUCLHLJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/5CN.Fe.NO.Na.H/c5*1-2;;1-2;;/q5*-1;+6;-1;+1;-1.
What are the key properties of sodium;hydride;iron(6+);nitroxyl anion;pentacyanide?
sodium;hydride;iron(6+);nitroxyl anion;pentacyanide has a molecular weight of 239.94 g/mol, XLogP of -2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;iron(6+);nitroxyl anion;pentacyanide is sourced from PubChem (CID 173086359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).