tris(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hydrate

C30H26ClN6ORu+ — CID 172897992

IUPACtris(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hydrate
SMILESO.[Cl-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.ClH.H2O.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3*1-8H;1H;1H2;/q;;;;;+2/p-1
InChIKeyVCIOOYXESNFDKX-UHFFFAOYSA-M
MW623.10 g/mol
LogP2.61
Rot. Bonds3

About tris(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hydrate

tris(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hydrate (PubChem CID 172897992) has the molecular formula C30H26ClN6ORu+ and a molecular weight of 623.10 g/mol. Its IUPAC name is tris(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hydrate.

Molecular Properties

Compound Nametris(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hydrate
PubChem CID172897992
Molecular FormulaC30H26ClN6ORu+
Molecular Weight623.10 g/mol
Exact Mass623.09
IUPAC Nametris(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hydrate
SMILESO.[Cl-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.ClH.H2O.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3*1-8H;1H;1H2;/q;;;;;+2/p-1
InChIKeyVCIOOYXESNFDKX-UHFFFAOYSA-M
XLogP2.61
TPSA108.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.10
LogP ≤ 52.61
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+);chloride;hydrate?
The IUPAC name of tris(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hydrate (CID 172897992) is tris(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hydrate.
What is the SMILES notation for tris(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hydrate?
The canonical SMILES for tris(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hydrate is O.[Cl-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of tris(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hydrate?
The InChIKey is VCIOOYXESNFDKX-UHFFFAOYSA-M. The full InChI is InChI=1S/3C10H8N2.ClH.H2O.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3*1-8H;1H;1H2;/q;;;;;+2/p-1.
What are the key properties of tris(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hydrate?
tris(2-pyridin-2-ylpyridine);ruthenium(2+);chloride;hydrate has a molecular weight of 623.10 g/mol, XLogP of 2.61, 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+);chloride;hydrate is sourced from PubChem (CID 172897992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).