tris(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;hexahydrate

C30H36Cl2N6O6Ru — CID 165340051

IUPACtris(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;hexahydrate
SMILESO.O.O.O.O.O.[Cl-].[Cl-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.2ClH.6H2O.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;/h3*1-8H;2*1H;6*1H2;/q;;;;;;;;;;;+2/p-2
InChIKeyWHELTKFSBJNBMQ-UHFFFAOYSA-L
MW748.63 g/mol
LogP-4.51
Rot. Bonds3

About tris(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;hexahydrate

tris(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;hexahydrate (PubChem CID 165340051) has the molecular formula C30H36Cl2N6O6Ru and a molecular weight of 748.63 g/mol. Its IUPAC name is tris(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;hexahydrate.

Molecular Properties

Compound Nametris(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;hexahydrate
PubChem CID165340051
Molecular FormulaC30H36Cl2N6O6Ru
Molecular Weight748.63 g/mol
Exact Mass748.11
IUPAC Nametris(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;hexahydrate
SMILESO.O.O.O.O.O.[Cl-].[Cl-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.2ClH.6H2O.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;/h3*1-8H;2*1H;6*1H2;/q;;;;;;;;;;;+2/p-2
InChIKeyWHELTKFSBJNBMQ-UHFFFAOYSA-L
XLogP-4.51
TPSA266.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500748.63
LogP ≤ 5-4.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tris(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;hexahydrate?
The IUPAC name of tris(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;hexahydrate (CID 165340051) is tris(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;hexahydrate.
What is the SMILES notation for tris(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;hexahydrate?
The canonical SMILES for tris(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;hexahydrate is O.O.O.O.O.O.[Cl-].[Cl-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of tris(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;hexahydrate?
The InChIKey is WHELTKFSBJNBMQ-UHFFFAOYSA-L. The full InChI is InChI=1S/3C10H8N2.2ClH.6H2O.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;/h3*1-8H;2*1H;6*1H2;/q;;;;;;;;;;;+2/p-2.
What are the key properties of tris(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;hexahydrate?
tris(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;hexahydrate has a molecular weight of 748.63 g/mol, XLogP of -4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride;hexahydrate is sourced from PubChem (CID 165340051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).