iron(5+);pentacyanide;hydrate

C5H2FeN5O — CID 11963597

IUPACiron(5+);pentacyanide;hydrate
SMILESO.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5]
InChIInChI=1S/5CN.Fe.H2O/c5*1-2;;/h;;;;;;1H2/q5*-1;+5;
InChIKeyFBHLOFDMBUFQTF-UHFFFAOYSA-N
MW203.95 g/mol
LogP-0.35
Rot. Bonds

About iron(5+);pentacyanide;hydrate

iron(5+);pentacyanide;hydrate (PubChem CID 11963597) has the molecular formula C5H2FeN5O and a molecular weight of 203.95 g/mol. Its IUPAC name is iron(5+);pentacyanide;hydrate.

Molecular Properties

Compound Nameiron(5+);pentacyanide;hydrate
PubChem CID11963597
Molecular FormulaC5H2FeN5O
Molecular Weight203.95 g/mol
Exact Mass203.96
IUPAC Nameiron(5+);pentacyanide;hydrate
SMILESO.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5]
InChIInChI=1S/5CN.Fe.H2O/c5*1-2;;/h;;;;;;1H2/q5*-1;+5;
InChIKeyFBHLOFDMBUFQTF-UHFFFAOYSA-N
XLogP-0.35
TPSA150.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.95
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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(5+);pentacyanide;hydrate?
The IUPAC name of iron(5+);pentacyanide;hydrate (CID 11963597) is iron(5+);pentacyanide;hydrate.
What is the SMILES notation for iron(5+);pentacyanide;hydrate?
The canonical SMILES for iron(5+);pentacyanide;hydrate is O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5].
What is the InChIKey of iron(5+);pentacyanide;hydrate?
The InChIKey is FBHLOFDMBUFQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/5CN.Fe.H2O/c5*1-2;;/h;;;;;;1H2/q5*-1;+5;.
What are the key properties of iron(5+);pentacyanide;hydrate?
iron(5+);pentacyanide;hydrate has a molecular weight of 203.95 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iron(5+);pentacyanide;hydrate is sourced from PubChem (CID 11963597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).