iron(2+);bis(nickel(2+));hexacyanide;hydrate

C6H2FeN6Ni2O — CID 91886512

IUPACiron(2+);bis(nickel(2+));hexacyanide;hydrate
SMILESO.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Ni+2].[Ni+2]
InChIInChI=1S/6CN.Fe.2Ni.H2O/c6*1-2;;;;/h;;;;;;;;;1H2/q6*-1;3*+2;
InChIKeyVZPDADKQDLQEQF-UHFFFAOYSA-N
MW347.35 g/mol
LogP-0.25
Rot. Bonds

About iron(2+);bis(nickel(2+));hexacyanide;hydrate

iron(2+);bis(nickel(2+));hexacyanide;hydrate (PubChem CID 91886512) has the molecular formula C6H2FeN6Ni2O and a molecular weight of 347.35 g/mol. Its IUPAC name is iron(2+);bis(nickel(2+));hexacyanide;hydrate.

Molecular Properties

Compound Nameiron(2+);bis(nickel(2+));hexacyanide;hydrate
PubChem CID91886512
Molecular FormulaC6H2FeN6Ni2O
Molecular Weight347.35 g/mol
Exact Mass345.83
IUPAC Nameiron(2+);bis(nickel(2+));hexacyanide;hydrate
SMILESO.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Ni+2].[Ni+2]
InChIInChI=1S/6CN.Fe.2Ni.H2O/c6*1-2;;;;/h;;;;;;;;;1H2/q6*-1;3*+2;
InChIKeyVZPDADKQDLQEQF-UHFFFAOYSA-N
XLogP-0.25
TPSA174.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 5-0.25
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(2+);bis(nickel(2+));hexacyanide;hydrate?
The IUPAC name of iron(2+);bis(nickel(2+));hexacyanide;hydrate (CID 91886512) is iron(2+);bis(nickel(2+));hexacyanide;hydrate.
What is the SMILES notation for iron(2+);bis(nickel(2+));hexacyanide;hydrate?
The canonical SMILES for iron(2+);bis(nickel(2+));hexacyanide;hydrate is O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Ni+2].[Ni+2].
What is the InChIKey of iron(2+);bis(nickel(2+));hexacyanide;hydrate?
The InChIKey is VZPDADKQDLQEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/6CN.Fe.2Ni.H2O/c6*1-2;;;;/h;;;;;;;;;1H2/q6*-1;3*+2;.
What are the key properties of iron(2+);bis(nickel(2+));hexacyanide;hydrate?
iron(2+);bis(nickel(2+));hexacyanide;hydrate has a molecular weight of 347.35 g/mol, XLogP of -0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);bis(nickel(2+));hexacyanide;hydrate is sourced from PubChem (CID 91886512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).