hydroxyiminoiron pentacyanide

C5HFeN6O-5 — CID 165378384

IUPAChydroxyiminoiron pentacyanide
SMILESON=[Fe].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N
InChIInChI=1S/5CN.Fe.HNO/c5*1-2;;1-2/h;;;;;;2H/q5*-1;;
InChIKeyMYQIGCYSGTWIKE-UHFFFAOYSA-N
MW216.95 g/mol
LogP0.59
Rot. Bonds

About hydroxyiminoiron pentacyanide

hydroxyiminoiron pentacyanide (PubChem CID 165378384) has the molecular formula C5HFeN6O-5 and a molecular weight of 216.95 g/mol. Its IUPAC name is hydroxyiminoiron pentacyanide.

Molecular Properties

Compound Namehydroxyiminoiron pentacyanide
PubChem CID165378384
Molecular FormulaC5HFeN6O-5
Molecular Weight216.95 g/mol
Exact Mass216.96
IUPAC Namehydroxyiminoiron pentacyanide
SMILESON=[Fe].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N
InChIInChI=1S/5CN.Fe.HNO/c5*1-2;;1-2/h;;;;;;2H/q5*-1;;
InChIKeyMYQIGCYSGTWIKE-UHFFFAOYSA-N
XLogP0.59
TPSA151.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.95
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxyiminoiron pentacyanide?
The IUPAC name of hydroxyiminoiron pentacyanide (CID 165378384) is hydroxyiminoiron pentacyanide.
What is the SMILES notation for hydroxyiminoiron pentacyanide?
The canonical SMILES for hydroxyiminoiron pentacyanide is ON=[Fe].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.
What is the InChIKey of hydroxyiminoiron pentacyanide?
The InChIKey is MYQIGCYSGTWIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/5CN.Fe.HNO/c5*1-2;;1-2/h;;;;;;2H/q5*-1;;.
What are the key properties of hydroxyiminoiron pentacyanide?
hydroxyiminoiron pentacyanide has a molecular weight of 216.95 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxyiminoiron pentacyanide is sourced from PubChem (CID 165378384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).