Barium(2+);hydride;iron;zirconium

H₂BaFeZr — CID 174509806

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 Name: Barium(2+);hydride;iron;zirconium
• PubChem CID: 174509806
• Molecular Formula: H₂BaFeZr
• Molecular Weight: 286.41 g/mol
• Exact Mass: 285.76
• IUPAC Name: barium(2+);hydride;iron;zirconium
• SMILES: [Ba+2].[Fe].[H-].[H-].[Zr]
• InChI: InChI=1S/Ba.Fe.Zr.2H/q+2;;;2*-1
• InChIKey: UTTXPKZACQJGCY-UHFFFAOYSA-N
• XLogP: -0.16
• TPSA: 0.00 Ų
• Heavy Atoms: 3
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.41
LogP ≤ 5	-0.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

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).

Sources

• PubChem CID 174509806 — identifiers, structure, computed properties (public domain)

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