tribromoiron;trihydrobromide

H3Br6Fe — CID 11827624

IUPACtribromoiron;trihydrobromide
SMILESBr.Br.Br.Br[Fe](Br)Br
InChIInChI=1S/6BrH.Fe/h6*1H;/q;;;;;;+3/p-3
InChIKeyMOIFDZBGJVRLFN-UHFFFAOYSA-K
MW538.29 g/mol
LogP4.27
Rot. Bonds

About tribromoiron;trihydrobromide

tribromoiron;trihydrobromide (PubChem CID 11827624) has the molecular formula H3Br6Fe and a molecular weight of 538.29 g/mol. Its IUPAC name is tribromoiron;trihydrobromide.

Molecular Properties

Compound Nametribromoiron;trihydrobromide
PubChem CID11827624
Molecular FormulaH3Br6Fe
Molecular Weight538.29 g/mol
Exact Mass532.47
IUPAC Nametribromoiron;trihydrobromide
SMILESBr.Br.Br.Br[Fe](Br)Br
InChIInChI=1S/6BrH.Fe/h6*1H;/q;;;;;;+3/p-3
InChIKeyMOIFDZBGJVRLFN-UHFFFAOYSA-K
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.29
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tribromoiron;trihydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tribromoiron;trihydrobromide?
The IUPAC name of tribromoiron;trihydrobromide (CID 11827624) is tribromoiron;trihydrobromide.
What is the SMILES notation for tribromoiron;trihydrobromide?
The canonical SMILES for tribromoiron;trihydrobromide is Br.Br.Br.Br[Fe](Br)Br.
What is the InChIKey of tribromoiron;trihydrobromide?
The InChIKey is MOIFDZBGJVRLFN-UHFFFAOYSA-K. The full InChI is InChI=1S/6BrH.Fe/h6*1H;/q;;;;;;+3/p-3.
What are the key properties of tribromoiron;trihydrobromide?
tribromoiron;trihydrobromide has a molecular weight of 538.29 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tribromoiron;trihydrobromide is sourced from PubChem (CID 11827624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).