disodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate

C5H4FeN6Na2O3 — CID 73415791

IUPACdisodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate
SMILESN#[O+].O.O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Na+].[Na+]
InChIInChI=1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q5*-1;+2;3*+1;;
InChIKeySPBWMYPZWNFWES-UHFFFAOYSA-N
MW297.95 g/mol
LogP-7.27
Rot. Bonds

About disodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate

disodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate (PubChem CID 73415791) has the molecular formula C5H4FeN6Na2O3 and a molecular weight of 297.95 g/mol. Its IUPAC name is disodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate.

Molecular Properties

Compound Namedisodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate
PubChem CID73415791
Molecular FormulaC5H4FeN6Na2O3
Molecular Weight297.95 g/mol
Exact Mass297.95
IUPAC Namedisodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate
SMILESN#[O+].O.O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Na+].[Na+]
InChIInChI=1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q5*-1;+2;3*+1;;
InChIKeySPBWMYPZWNFWES-UHFFFAOYSA-N
XLogP-7.27
TPSA225.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.95
LogP ≤ 5-7.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate?
The IUPAC name of disodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate (CID 73415791) is disodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate.
What is the SMILES notation for disodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate?
The canonical SMILES for disodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate is N#[O+].O.O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Na+].[Na+].
What is the InChIKey of disodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate?
The InChIKey is SPBWMYPZWNFWES-UHFFFAOYSA-N. The full InChI is InChI=1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q5*-1;+2;3*+1;;.
What are the key properties of disodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate?
disodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate has a molecular weight of 297.95 g/mol, XLogP of -7.27, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;azanylidyneoxidanium;iron(2+);pentacyanide;dihydrate is sourced from PubChem (CID 73415791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).