barium(2+);hydride;iron;zirconium

H2BaFeZr — CID 174509806

IUPACbarium(2+);hydride;iron;zirconium
SMILES[Ba+2].[Fe].[H-].[H-].[Zr]
InChIInChI=1S/Ba.Fe.Zr.2H/q+2;;;2*-1
InChIKeyUTTXPKZACQJGCY-UHFFFAOYSA-N
MW286.41 g/mol
LogP-0.16
Rot. Bonds

About barium(2+);hydride;iron;zirconium

barium(2+);hydride;iron;zirconium (PubChem CID 174509806) has the molecular formula H2BaFeZr and a molecular weight of 286.41 g/mol. Its IUPAC name is barium(2+);hydride;iron;zirconium.

Molecular Properties

Compound Namebarium(2+);hydride;iron;zirconium
PubChem CID174509806
Molecular FormulaH2BaFeZr
Molecular Weight286.41 g/mol
Exact Mass285.76
IUPAC Namebarium(2+);hydride;iron;zirconium
SMILES[Ba+2].[Fe].[H-].[H-].[Zr]
InChIInChI=1S/Ba.Fe.Zr.2H/q+2;;;2*-1
InChIKeyUTTXPKZACQJGCY-UHFFFAOYSA-N
XLogP-0.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;iron;zirconium?
The IUPAC name of barium(2+);hydride;iron;zirconium (CID 174509806) is barium(2+);hydride;iron;zirconium.
What is the SMILES notation for barium(2+);hydride;iron;zirconium?
The canonical SMILES for barium(2+);hydride;iron;zirconium is [Ba+2].[Fe].[H-].[H-].[Zr].
What is the InChIKey of barium(2+);hydride;iron;zirconium?
The InChIKey is UTTXPKZACQJGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Fe.Zr.2H/q+2;;;2*-1.
What are the key properties of barium(2+);hydride;iron;zirconium?
barium(2+);hydride;iron;zirconium has a molecular weight of 286.41 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;iron;zirconium is sourced from PubChem (CID 174509806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).