tripotassium;iron(3+);hexacyanide;hydrate

C6H2FeK3N6O — CID 91886513

IUPACtripotassium;iron(3+);hexacyanide;hydrate
SMILESO.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+3].[K+].[K+].[K+]
InChIInChI=1S/6CN.Fe.3K.H2O/c6*1-2;;;;;/h;;;;;;;;;;1H2/q6*-1;+3;3*+1;
InChIKeyVISGSRXLNFMZIP-UHFFFAOYSA-N
MW347.26 g/mol
LogP-9.24
Rot. Bonds

About tripotassium;iron(3+);hexacyanide;hydrate

tripotassium;iron(3+);hexacyanide;hydrate (PubChem CID 91886513) has the molecular formula C6H2FeK3N6O and a molecular weight of 347.26 g/mol. Its IUPAC name is tripotassium;iron(3+);hexacyanide;hydrate.

Molecular Properties

Compound Nametripotassium;iron(3+);hexacyanide;hydrate
PubChem CID91886513
Molecular FormulaC6H2FeK3N6O
Molecular Weight347.26 g/mol
Exact Mass346.86
IUPAC Nametripotassium;iron(3+);hexacyanide;hydrate
SMILESO.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+3].[K+].[K+].[K+]
InChIInChI=1S/6CN.Fe.3K.H2O/c6*1-2;;;;;/h;;;;;;;;;;1H2/q6*-1;+3;3*+1;
InChIKeyVISGSRXLNFMZIP-UHFFFAOYSA-N
XLogP-9.24
TPSA174.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 5-9.24
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 tripotassium;iron(3+);hexacyanide;hydrate?
The IUPAC name of tripotassium;iron(3+);hexacyanide;hydrate (CID 91886513) is tripotassium;iron(3+);hexacyanide;hydrate.
What is the SMILES notation for tripotassium;iron(3+);hexacyanide;hydrate?
The canonical SMILES for tripotassium;iron(3+);hexacyanide;hydrate is O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+3].[K+].[K+].[K+].
What is the InChIKey of tripotassium;iron(3+);hexacyanide;hydrate?
The InChIKey is VISGSRXLNFMZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/6CN.Fe.3K.H2O/c6*1-2;;;;;/h;;;;;;;;;;1H2/q6*-1;+3;3*+1;.
What are the key properties of tripotassium;iron(3+);hexacyanide;hydrate?
tripotassium;iron(3+);hexacyanide;hydrate has a molecular weight of 347.26 g/mol, XLogP of -9.24, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;iron(3+);hexacyanide;hydrate is sourced from PubChem (CID 91886513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).