barium;iron

BaFe — CID 57426154

IUPACbarium;iron
SMILES[Ba].[Fe]
InChIInChI=1S/Ba.Fe
InChIKeyYADLKQDEUNZTLC-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.38
Rot. Bonds

About barium;iron

barium;iron (PubChem CID 57426154) has the molecular formula BaFe and a molecular weight of 193.17 g/mol. Its IUPAC name is barium;iron.

Molecular Properties

Compound Namebarium;iron
PubChem CID57426154
Molecular FormulaBaFe
Molecular Weight193.17 g/mol
Exact Mass193.84
IUPAC Namebarium;iron
SMILES[Ba].[Fe]
InChIInChI=1S/Ba.Fe
InChIKeyYADLKQDEUNZTLC-UHFFFAOYSA-N
XLogP-0.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of barium;iron?
The IUPAC name of barium;iron (CID 57426154) is barium;iron.
What is the SMILES notation for barium;iron?
The canonical SMILES for barium;iron is [Ba].[Fe].
What is the InChIKey of barium;iron?
The InChIKey is YADLKQDEUNZTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Fe.
What are the key properties of barium;iron?
barium;iron has a molecular weight of 193.17 g/mol, XLogP of -0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium;iron is sourced from PubChem (CID 57426154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).