dichloroiron;1,10-phenanthroline

C12H8Cl2FeN2 — CID 3383833

IUPACdichloroiron;1,10-phenanthroline
SMILESCl[Fe]Cl.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.2ClH.Fe/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h1-8H;2*1H;/q;;;+2/p-2
InChIKeyUBCPTWRHTVTGFL-UHFFFAOYSA-L
MW306.96 g/mol
LogP4.16
Rot. Bonds

About dichloroiron;1,10-phenanthroline

dichloroiron;1,10-phenanthroline (PubChem CID 3383833) has the molecular formula C12H8Cl2FeN2 and a molecular weight of 306.96 g/mol. Its IUPAC name is dichloroiron;1,10-phenanthroline.

Molecular Properties

Compound Namedichloroiron;1,10-phenanthroline
PubChem CID3383833
Molecular FormulaC12H8Cl2FeN2
Molecular Weight306.96 g/mol
Exact Mass305.94
IUPAC Namedichloroiron;1,10-phenanthroline
SMILESCl[Fe]Cl.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.2ClH.Fe/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h1-8H;2*1H;/q;;;+2/p-2
InChIKeyUBCPTWRHTVTGFL-UHFFFAOYSA-L
XLogP4.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.96
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze dichloroiron;1,10-phenanthroline 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 dichloroiron;1,10-phenanthroline?
The IUPAC name of dichloroiron;1,10-phenanthroline (CID 3383833) is dichloroiron;1,10-phenanthroline.
What is the SMILES notation for dichloroiron;1,10-phenanthroline?
The canonical SMILES for dichloroiron;1,10-phenanthroline is Cl[Fe]Cl.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of dichloroiron;1,10-phenanthroline?
The InChIKey is UBCPTWRHTVTGFL-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2.2ClH.Fe/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h1-8H;2*1H;/q;;;+2/p-2.
What are the key properties of dichloroiron;1,10-phenanthroline?
dichloroiron;1,10-phenanthroline has a molecular weight of 306.96 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;1,10-phenanthroline is sourced from PubChem (CID 3383833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).