dichloroiron;2-methyl-1,10-phenanthroline

C13H10Cl2FeN2 — CID 175695507

IUPACdichloroiron;2-methyl-1,10-phenanthroline
SMILESCc1ccc2ccc3cccnc3c2n1.Cl[Fe]Cl
InChIInChI=1S/C13H10N2.2ClH.Fe/c1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9;;;/h2-8H,1H3;2*1H;/q;;;+2/p-2
InChIKeyCGWJHIWRTWIRNW-UHFFFAOYSA-L
MW320.99 g/mol
LogP4.47
Rot. Bonds

About dichloroiron;2-methyl-1,10-phenanthroline

dichloroiron;2-methyl-1,10-phenanthroline (PubChem CID 175695507) has the molecular formula C13H10Cl2FeN2 and a molecular weight of 320.99 g/mol. Its IUPAC name is dichloroiron;2-methyl-1,10-phenanthroline.

Molecular Properties

Compound Namedichloroiron;2-methyl-1,10-phenanthroline
PubChem CID175695507
Molecular FormulaC13H10Cl2FeN2
Molecular Weight320.99 g/mol
Exact Mass319.96
IUPAC Namedichloroiron;2-methyl-1,10-phenanthroline
SMILESCc1ccc2ccc3cccnc3c2n1.Cl[Fe]Cl
InChIInChI=1S/C13H10N2.2ClH.Fe/c1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9;;;/h2-8H,1H3;2*1H;/q;;;+2/p-2
InChIKeyCGWJHIWRTWIRNW-UHFFFAOYSA-L
XLogP4.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.99
LogP ≤ 54.47
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'}

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Frequently Asked Questions

What is the IUPAC name of dichloroiron;2-methyl-1,10-phenanthroline?
The IUPAC name of dichloroiron;2-methyl-1,10-phenanthroline (CID 175695507) is dichloroiron;2-methyl-1,10-phenanthroline.
What is the SMILES notation for dichloroiron;2-methyl-1,10-phenanthroline?
The canonical SMILES for dichloroiron;2-methyl-1,10-phenanthroline is Cc1ccc2ccc3cccnc3c2n1.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;2-methyl-1,10-phenanthroline?
The InChIKey is CGWJHIWRTWIRNW-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H10N2.2ClH.Fe/c1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9;;;/h2-8H,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloroiron;2-methyl-1,10-phenanthroline?
dichloroiron;2-methyl-1,10-phenanthroline has a molecular weight of 320.99 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;2-methyl-1,10-phenanthroline is sourced from PubChem (CID 175695507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).