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

C20H20Cl2N4O2Ru — CID 2734543

IUPACdichlororuthenium;bis(2-pyridin-2-ylpyridine);dihydrate
SMILESCl[Ru]Cl.O.O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2ClH.2H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;/h2*1-8H;2*1H;2*1H2;/q;;;;;;+2/p-2
InChIKeyNHKTUSUPCAKVHT-UHFFFAOYSA-L
MW520.38 g/mol
LogP4.01
Rot. Bonds2

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

dichlororuthenium;bis(2-pyridin-2-ylpyridine);dihydrate (PubChem CID 2734543) has the molecular formula C20H20Cl2N4O2Ru and a molecular weight of 520.38 g/mol. Its IUPAC name is dichlororuthenium;bis(2-pyridin-2-ylpyridine);dihydrate.

Molecular Properties

Compound Namedichlororuthenium;bis(2-pyridin-2-ylpyridine);dihydrate
PubChem CID2734543
Molecular FormulaC20H20Cl2N4O2Ru
Molecular Weight520.38 g/mol
Exact Mass520.00
IUPAC Namedichlororuthenium;bis(2-pyridin-2-ylpyridine);dihydrate
SMILESCl[Ru]Cl.O.O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2ClH.2H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;/h2*1-8H;2*1H;2*1H2;/q;;;;;;+2/p-2
InChIKeyNHKTUSUPCAKVHT-UHFFFAOYSA-L
XLogP4.01
TPSA114.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.38
LogP ≤ 54.01
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);dihydrate?
The IUPAC name of dichlororuthenium;bis(2-pyridin-2-ylpyridine);dihydrate (CID 2734543) is dichlororuthenium;bis(2-pyridin-2-ylpyridine);dihydrate.
What is the SMILES notation for dichlororuthenium;bis(2-pyridin-2-ylpyridine);dihydrate?
The canonical SMILES for dichlororuthenium;bis(2-pyridin-2-ylpyridine);dihydrate is Cl[Ru]Cl.O.O.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dichlororuthenium;bis(2-pyridin-2-ylpyridine);dihydrate?
The InChIKey is NHKTUSUPCAKVHT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.2ClH.2H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;/h2*1-8H;2*1H;2*1H2;/q;;;;;;+2/p-2.
What are the key properties of dichlororuthenium;bis(2-pyridin-2-ylpyridine);dihydrate?
dichlororuthenium;bis(2-pyridin-2-ylpyridine);dihydrate has a molecular weight of 520.38 g/mol, XLogP of 4.01, 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);dihydrate is sourced from PubChem (CID 2734543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).