dichlororuthenium;bis(2-pyridin-2-ylpyridine);hydrate

C20H18Cl2N4ORu — CID 165360208

IUPACdichlororuthenium;bis(2-pyridin-2-ylpyridine);hydrate
SMILESCl[Ru]Cl.O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2ClH.H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h2*1-8H;2*1H;1H2;/q;;;;;+2/p-2
InChIKeyXBOQABVNRXVAKI-UHFFFAOYSA-L
MW502.37 g/mol
LogP4.84
Rot. Bonds2

About dichlororuthenium;bis(2-pyridin-2-ylpyridine);hydrate

dichlororuthenium;bis(2-pyridin-2-ylpyridine);hydrate (PubChem CID 165360208) has the molecular formula C20H18Cl2N4ORu and a molecular weight of 502.37 g/mol. Its IUPAC name is dichlororuthenium;bis(2-pyridin-2-ylpyridine);hydrate.

Molecular Properties

Compound Namedichlororuthenium;bis(2-pyridin-2-ylpyridine);hydrate
PubChem CID165360208
Molecular FormulaC20H18Cl2N4ORu
Molecular Weight502.37 g/mol
Exact Mass501.99
IUPAC Namedichlororuthenium;bis(2-pyridin-2-ylpyridine);hydrate
SMILESCl[Ru]Cl.O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2ClH.H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h2*1-8H;2*1H;1H2;/q;;;;;+2/p-2
InChIKeyXBOQABVNRXVAKI-UHFFFAOYSA-L
XLogP4.84
TPSA83.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;bis(2-pyridin-2-ylpyridine);hydrate?
The IUPAC name of dichlororuthenium;bis(2-pyridin-2-ylpyridine);hydrate (CID 165360208) is dichlororuthenium;bis(2-pyridin-2-ylpyridine);hydrate.
What is the SMILES notation for dichlororuthenium;bis(2-pyridin-2-ylpyridine);hydrate?
The canonical SMILES for dichlororuthenium;bis(2-pyridin-2-ylpyridine);hydrate is Cl[Ru]Cl.O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dichlororuthenium;bis(2-pyridin-2-ylpyridine);hydrate?
The InChIKey is XBOQABVNRXVAKI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.2ClH.H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;/h2*1-8H;2*1H;1H2;/q;;;;;+2/p-2.
What are the key properties of dichlororuthenium;bis(2-pyridin-2-ylpyridine);hydrate?
dichlororuthenium;bis(2-pyridin-2-ylpyridine);hydrate has a molecular weight of 502.37 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;bis(2-pyridin-2-ylpyridine);hydrate is sourced from PubChem (CID 165360208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).