azanide;trichloroiron

H2Cl3FeN- — CID 174969604

IUPACazanide;trichloroiron
SMILESCl[Fe](Cl)Cl.[NH2-]
InChIInChI=1S/3ClH.Fe.H2N/h3*1H;;1H2/q;;;+3;-1/p-3
InChIKeyLVUKOYDYWVJPDN-UHFFFAOYSA-K
MW178.23 g/mol
LogP2.78
Rot. Bonds

About azanide;trichloroiron

azanide;trichloroiron (PubChem CID 174969604) has the molecular formula H2Cl3FeN- and a molecular weight of 178.23 g/mol. Its IUPAC name is azanide;trichloroiron.

Molecular Properties

Compound Nameazanide;trichloroiron
PubChem CID174969604
Molecular FormulaH2Cl3FeN-
Molecular Weight178.23 g/mol
Exact Mass176.86
IUPAC Nameazanide;trichloroiron
SMILESCl[Fe](Cl)Cl.[NH2-]
InChIInChI=1S/3ClH.Fe.H2N/h3*1H;;1H2/q;;;+3;-1/p-3
InChIKeyLVUKOYDYWVJPDN-UHFFFAOYSA-K
XLogP2.78
TPSA33.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze azanide;trichloroiron 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 azanide;trichloroiron?
The IUPAC name of azanide;trichloroiron (CID 174969604) is azanide;trichloroiron.
What is the SMILES notation for azanide;trichloroiron?
The canonical SMILES for azanide;trichloroiron is Cl[Fe](Cl)Cl.[NH2-].
What is the InChIKey of azanide;trichloroiron?
The InChIKey is LVUKOYDYWVJPDN-UHFFFAOYSA-K. The full InChI is InChI=1S/3ClH.Fe.H2N/h3*1H;;1H2/q;;;+3;-1/p-3.
What are the key properties of azanide;trichloroiron?
azanide;trichloroiron has a molecular weight of 178.23 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;trichloroiron is sourced from PubChem (CID 174969604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).