2-pyridin-2-ylpyridine;trichloroiron

C10H8Cl3FeN2 — CID 13245641

IUPAC2-pyridin-2-ylpyridine;trichloroiron
SMILESCl[Fe](Cl)Cl.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.3ClH.Fe/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h1-8H;3*1H;/q;;;;+3/p-3
InChIKeyMDCSDKSDNMGQGF-UHFFFAOYSA-K
MW318.39 g/mol
LogP4.21
Rot. Bonds1

About 2-pyridin-2-ylpyridine;trichloroiron

2-pyridin-2-ylpyridine;trichloroiron (PubChem CID 13245641) has the molecular formula C10H8Cl3FeN2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-pyridin-2-ylpyridine;trichloroiron.

Molecular Properties

Compound Name2-pyridin-2-ylpyridine;trichloroiron
PubChem CID13245641
Molecular FormulaC10H8Cl3FeN2
Molecular Weight318.39 g/mol
Exact Mass316.91
IUPAC Name2-pyridin-2-ylpyridine;trichloroiron
SMILESCl[Fe](Cl)Cl.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.3ClH.Fe/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h1-8H;3*1H;/q;;;;+3/p-3
InChIKeyMDCSDKSDNMGQGF-UHFFFAOYSA-K
XLogP4.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
pyrrolo[3,2-b]azepine
CID 66934182
dichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate
CID 173206951
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylpyridine;trichloroiron?
The IUPAC name of 2-pyridin-2-ylpyridine;trichloroiron (CID 13245641) is 2-pyridin-2-ylpyridine;trichloroiron.
What is the SMILES notation for 2-pyridin-2-ylpyridine;trichloroiron?
The canonical SMILES for 2-pyridin-2-ylpyridine;trichloroiron is Cl[Fe](Cl)Cl.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-pyridin-2-ylpyridine;trichloroiron?
The InChIKey is MDCSDKSDNMGQGF-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H8N2.3ClH.Fe/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h1-8H;3*1H;/q;;;;+3/p-3.
What are the key properties of 2-pyridin-2-ylpyridine;trichloroiron?
2-pyridin-2-ylpyridine;trichloroiron has a molecular weight of 318.39 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylpyridine;trichloroiron is sourced from PubChem (CID 13245641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).