tris(2-pyridin-2-ylpyridine);ruthenium(3+);trichloride

C30H24Cl3N6Ru — CID 3081458

IUPACtris(2-pyridin-2-ylpyridine);ruthenium(3+);trichloride
SMILES[Cl-].[Cl-].[Cl-].[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.3ClH.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h3*1-8H;3*1H;/q;;;;;;+3/p-3
InChIKeySIDCPPUYOKZTEY-UHFFFAOYSA-K
MW675.99 g/mol
LogP-2.56
Rot. Bonds3

About tris(2-pyridin-2-ylpyridine);ruthenium(3+);trichloride

tris(2-pyridin-2-ylpyridine);ruthenium(3+);trichloride (PubChem CID 3081458) has the molecular formula C30H24Cl3N6Ru and a molecular weight of 675.99 g/mol. Its IUPAC name is tris(2-pyridin-2-ylpyridine);ruthenium(3+);trichloride.

Molecular Properties

Compound Nametris(2-pyridin-2-ylpyridine);ruthenium(3+);trichloride
PubChem CID3081458
Molecular FormulaC30H24Cl3N6Ru
Molecular Weight675.99 g/mol
Exact Mass675.02
IUPAC Nametris(2-pyridin-2-ylpyridine);ruthenium(3+);trichloride
SMILES[Cl-].[Cl-].[Cl-].[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.3ClH.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h3*1-8H;3*1H;/q;;;;;;+3/p-3
InChIKeySIDCPPUYOKZTEY-UHFFFAOYSA-K
XLogP-2.56
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500675.99
LogP ≤ 5-2.56
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(3+);trichloride?
The IUPAC name of tris(2-pyridin-2-ylpyridine);ruthenium(3+);trichloride (CID 3081458) is tris(2-pyridin-2-ylpyridine);ruthenium(3+);trichloride.
What is the SMILES notation for tris(2-pyridin-2-ylpyridine);ruthenium(3+);trichloride?
The canonical SMILES for tris(2-pyridin-2-ylpyridine);ruthenium(3+);trichloride is [Cl-].[Cl-].[Cl-].[Ru+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of tris(2-pyridin-2-ylpyridine);ruthenium(3+);trichloride?
The InChIKey is SIDCPPUYOKZTEY-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H8N2.3ClH.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h3*1-8H;3*1H;/q;;;;;;+3/p-3.
What are the key properties of tris(2-pyridin-2-ylpyridine);ruthenium(3+);trichloride?
tris(2-pyridin-2-ylpyridine);ruthenium(3+);trichloride has a molecular weight of 675.99 g/mol, XLogP of -2.56, 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(3+);trichloride is sourced from PubChem (CID 3081458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).