dichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate

C30H34Cl2N6O5Ru — CID 173206951

IUPACdichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate
SMILESCl[Ru]Cl.O.O.O.O.O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.2ClH.5H2O.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;/h3*1-8H;2*1H;5*1H2;/q;;;;;;;;;;+2/p-2
InChIKeyKOSVGRJTASTBQK-UHFFFAOYSA-L
MW730.62 g/mol
LogP3.68
Rot. Bonds3

About dichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate

dichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate (PubChem CID 173206951) has the molecular formula C30H34Cl2N6O5Ru and a molecular weight of 730.62 g/mol. Its IUPAC name is dichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate.

Molecular Properties

Compound Namedichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate
PubChem CID173206951
Molecular FormulaC30H34Cl2N6O5Ru
Molecular Weight730.62 g/mol
Exact Mass730.10
IUPAC Namedichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate
SMILESCl[Ru]Cl.O.O.O.O.O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.2ClH.5H2O.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;/h3*1-8H;2*1H;5*1H2;/q;;;;;;;;;;+2/p-2
InChIKeyKOSVGRJTASTBQK-UHFFFAOYSA-L
XLogP3.68
TPSA234.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500730.62
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
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CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
2-pyridin-2-ylpyridine;trichloroiron
CID 13245641
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
pyrrolo[3,2-b]azepine
CID 66934182
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
palladium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate
CID 19810782

Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate?
The IUPAC name of dichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate (CID 173206951) is dichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate.
What is the SMILES notation for dichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate?
The canonical SMILES for dichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate is Cl[Ru]Cl.O.O.O.O.O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate?
The InChIKey is KOSVGRJTASTBQK-UHFFFAOYSA-L. The full InChI is InChI=1S/3C10H8N2.2ClH.5H2O.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;/h3*1-8H;2*1H;5*1H2;/q;;;;;;;;;;+2/p-2.
What are the key properties of dichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate?
dichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate has a molecular weight of 730.62 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate is sourced from PubChem (CID 173206951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).