Iron

Fe — CID 12598409

About Iron

Iron (PubChem CID 12598409) has the molecular formula Fe and a molecular weight of 55.84 g/mol. Its IUPAC name is iron hexahydride.

Molecular Properties

• Compound Name: Iron
• PubChem CID: 12598409
• Molecular Formula: Fe
• Molecular Weight: 55.84 g/mol
• Exact Mass: 55.93
• IUPAC Name: iron hexahydride
• SMILES: [Fe]
• InChI: InChI=1S/Fe
• InChIKey: XEEYBQQBJWHFJM-UHFFFAOYSA-N
• XLogP: -0.00
• TPSA: 0.00 Ų
• Heavy Atoms: 1
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	55.84
LogP ≤ 5	-0.00
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 Iron?

The IUPAC name of Iron (CID 12598409) is iron hexahydride.

What is the SMILES notation for Iron?

The canonical SMILES for Iron is [Fe].

What is the InChIKey of Iron?

The InChIKey is XEEYBQQBJWHFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.

What are the key properties of Iron?

Iron has a molecular weight of 55.84 g/mol, XLogP of -0.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Iron is sourced from PubChem (CID 12598409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 12598409 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4277 — approved-drug record (CC BY-SA 4.0)

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