iron(2+);nickel(2+);tetraisocyanate

C4FeN4NiO4 — CID 175341368

IUPACiron(2+);nickel(2+);tetraisocyanate
SMILES[Fe+2].[N-]=C=O.[N-]=C=O.[N-]=C=O.[N-]=C=O.[Ni+2]
InChIInChI=1S/4CNO.Fe.Ni/c4*2-1-3;;/q4*-1;2*+2
InChIKeyGBPONQAIFORTHV-UHFFFAOYSA-N
MW282.61 g/mol
LogP-0.44
Rot. Bonds

About iron(2+);nickel(2+);tetraisocyanate

iron(2+);nickel(2+);tetraisocyanate (PubChem CID 175341368) has the molecular formula C4FeN4NiO4 and a molecular weight of 282.61 g/mol. Its IUPAC name is iron(2+);nickel(2+);tetraisocyanate.

Molecular Properties

Compound Nameiron(2+);nickel(2+);tetraisocyanate
PubChem CID175341368
Molecular FormulaC4FeN4NiO4
Molecular Weight282.61 g/mol
Exact Mass281.86
IUPAC Nameiron(2+);nickel(2+);tetraisocyanate
SMILES[Fe+2].[N-]=C=O.[N-]=C=O.[N-]=C=O.[N-]=C=O.[Ni+2]
InChIInChI=1S/4CNO.Fe.Ni/c4*2-1-3;;/q4*-1;2*+2
InChIKeyGBPONQAIFORTHV-UHFFFAOYSA-N
XLogP-0.44
TPSA157.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.61
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

chromium(3+);iron(2+);pentaisocyanate
CID 175385630
CID 18764448
CID 18764448
CID 159379523
CID 159379523
dicesium diisocyanate
CID 158783329
zirconium(4+) tetraisocyanate
CID 161118534
sulfane isocyanate
CID 23503952
azane isocyanate
CID 22114493
ruthenium(1+) isocyanate
CID 150299846
cerium(3+) triisocyanate
CID 141389401
sodium;dichloride;isocyanate
CID 18324615
methane;phosphane;diisocyanate
CID 21425418
hydrazine diisocyanate
CID 21493304

Frequently Asked Questions

What is the IUPAC name of iron(2+);nickel(2+);tetraisocyanate?
The IUPAC name of iron(2+);nickel(2+);tetraisocyanate (CID 175341368) is iron(2+);nickel(2+);tetraisocyanate.
What is the SMILES notation for iron(2+);nickel(2+);tetraisocyanate?
The canonical SMILES for iron(2+);nickel(2+);tetraisocyanate is [Fe+2].[N-]=C=O.[N-]=C=O.[N-]=C=O.[N-]=C=O.[Ni+2].
What is the InChIKey of iron(2+);nickel(2+);tetraisocyanate?
The InChIKey is GBPONQAIFORTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/4CNO.Fe.Ni/c4*2-1-3;;/q4*-1;2*+2.
What are the key properties of iron(2+);nickel(2+);tetraisocyanate?
iron(2+);nickel(2+);tetraisocyanate has a molecular weight of 282.61 g/mol, XLogP of -0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);nickel(2+);tetraisocyanate is sourced from PubChem (CID 175341368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).