dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine

C14H10Cl2FeN2S — CID 22968583

IUPACdichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine
SMILESCl[Fe]Cl.c1ccc(-c2ccc(-c3ccccn3)s2)nc1
InChIInChI=1S/C14H10N2S.2ClH.Fe/c1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12;;;/h1-10H;2*1H;/q;;;+2/p-2
InChIKeyJDEZLOPGYDIHGE-UHFFFAOYSA-L
MW365.07 g/mol
LogP5.25
Rot. Bonds2

About dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine

dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine (PubChem CID 22968583) has the molecular formula C14H10Cl2FeN2S and a molecular weight of 365.07 g/mol. Its IUPAC name is dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine.

Molecular Properties

Compound Namedichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine
PubChem CID22968583
Molecular FormulaC14H10Cl2FeN2S
Molecular Weight365.07 g/mol
Exact Mass363.93
IUPAC Namedichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine
SMILESCl[Fe]Cl.c1ccc(-c2ccc(-c3ccccn3)s2)nc1
InChIInChI=1S/C14H10N2S.2ClH.Fe/c1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12;;;/h1-10H;2*1H;/q;;;+2/p-2
InChIKeyJDEZLOPGYDIHGE-UHFFFAOYSA-L
XLogP5.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.07
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[5-(5-pyridin-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyridine
CID 102384658
2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 14748061
2-(5-ethynylthiophen-2-yl)pyridine
CID 15084146
2-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
CID 59693441
ethane;2-(5-ethylthiophen-2-yl)pyridine
CID 142831461
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353

Frequently Asked Questions

What is the IUPAC name of dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine?
The IUPAC name of dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine (CID 22968583) is dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine.
What is the SMILES notation for dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine?
The canonical SMILES for dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine is Cl[Fe]Cl.c1ccc(-c2ccc(-c3ccccn3)s2)nc1.
What is the InChIKey of dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine?
The InChIKey is JDEZLOPGYDIHGE-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H10N2S.2ClH.Fe/c1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12;;;/h1-10H;2*1H;/q;;;+2/p-2.
What are the key properties of dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine?
dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine has a molecular weight of 365.07 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine is sourced from PubChem (CID 22968583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).