bis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);dichlororuthenium;dihydrate

C20H16Cl6N4O2Ru — CID 139238459

IUPACbis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);dichlororuthenium;dihydrate
SMILESCl[Ru]Cl.Clc1ccnc(-c2cc(Cl)ccn2)c1.Clc1ccnc(-c2cc(Cl)ccn2)c1.O.O
InChIInChI=1S/2C10H6Cl2N2.2ClH.2H2O.Ru/c2*11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10;;;;;/h2*1-6H;2*1H;2*1H2;/q;;;;;;+2/p-2
InChIKeySSKMPRGDZWGHOD-UHFFFAOYSA-L
MW658.16 g/mol
LogP6.63
Rot. Bonds2

About bis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);dichlororuthenium;dihydrate

bis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);dichlororuthenium;dihydrate (PubChem CID 139238459) has the molecular formula C20H16Cl6N4O2Ru and a molecular weight of 658.16 g/mol. Its IUPAC name is bis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);dichlororuthenium;dihydrate.

Molecular Properties

Compound Namebis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);dichlororuthenium;dihydrate
PubChem CID139238459
Molecular FormulaC20H16Cl6N4O2Ru
Molecular Weight658.16 g/mol
Exact Mass655.84
IUPAC Namebis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);dichlororuthenium;dihydrate
SMILESCl[Ru]Cl.Clc1ccnc(-c2cc(Cl)ccn2)c1.Clc1ccnc(-c2cc(Cl)ccn2)c1.O.O
InChIInChI=1S/2C10H6Cl2N2.2ClH.2H2O.Ru/c2*11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10;;;;;/h2*1-6H;2*1H;2*1H2;/q;;;;;;+2/p-2
InChIKeySSKMPRGDZWGHOD-UHFFFAOYSA-L
XLogP6.63
TPSA114.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.16
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
4'-Chloro-2,2':6',2''-terpyridine
CID 667748
2-Chloro-6-(pyridin-2-yl)pyridine
CID 11116850
4'-(4-Chlorophenyl)-2,2':6',2''-terpyridine
CID 10871645
4-Chloro-2,2'-bipyridine
CID 15207243
Tris[2,2'-bipyridine]ruthenium dichloride
CID 84353
tris(2,2'-bipyridyl)cobalt(III)
CID 161059
Iron(2+), tris(2,2'-bipyridine-N,N')-, dichloride
CID 203609
Iron, tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-
CID 3032636
cis-Dichlorobis(2,2'-bipyridine)ruthenium(II) dihydrate
CID 2734543
cis-Bis(2,2'-bipyridyl)dichlororuthenium(II)
CID 6398695
cis-Bis(2,2'-bipyridine)dichlororuthenium(II) hydrate
CID 16211844

Frequently Asked Questions

What is the IUPAC name of bis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);dichlororuthenium;dihydrate?
The IUPAC name of bis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);dichlororuthenium;dihydrate (CID 139238459) is bis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);dichlororuthenium;dihydrate.
What is the SMILES notation for bis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);dichlororuthenium;dihydrate?
The canonical SMILES for bis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);dichlororuthenium;dihydrate is Cl[Ru]Cl.Clc1ccnc(-c2cc(Cl)ccn2)c1.Clc1ccnc(-c2cc(Cl)ccn2)c1.O.O.
What is the InChIKey of bis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);dichlororuthenium;dihydrate?
The InChIKey is SSKMPRGDZWGHOD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H6Cl2N2.2ClH.2H2O.Ru/c2*11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10;;;;;/h2*1-6H;2*1H;2*1H2;/q;;;;;;+2/p-2.
What are the key properties of bis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);dichlororuthenium;dihydrate?
bis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);dichlororuthenium;dihydrate has a molecular weight of 658.16 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);dichlororuthenium;dihydrate is sourced from PubChem (CID 139238459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).