bis(4-chloro-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dichloride;dihydrate

C30H24Cl4N6O2Ru — CID 139083901

IUPACbis(4-chloro-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dichloride;dihydrate
SMILESClc1cc(-c2ccccn2)nc(-c2ccccn2)c1.Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1.O.O.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/2C15H10ClN3.2ClH.2H2O.Ru/c2*16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13;;;;;/h2*1-10H;2*1H;2*1H2;/q;;;;;;+2/p-2
InChIKeyVTHDLYHAFPRQIN-UHFFFAOYSA-L
MW743.44 g/mol
LogP0.07
Rot. Bonds4

About bis(4-chloro-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dichloride;dihydrate

bis(4-chloro-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dichloride;dihydrate (PubChem CID 139083901) has the molecular formula C30H24Cl4N6O2Ru and a molecular weight of 743.44 g/mol. Its IUPAC name is bis(4-chloro-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dichloride;dihydrate.

Molecular Properties

Compound Namebis(4-chloro-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dichloride;dihydrate
PubChem CID139083901
Molecular FormulaC30H24Cl4N6O2Ru
Molecular Weight743.44 g/mol
Exact Mass741.98
IUPAC Namebis(4-chloro-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dichloride;dihydrate
SMILESClc1cc(-c2ccccn2)nc(-c2ccccn2)c1.Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1.O.O.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/2C15H10ClN3.2ClH.2H2O.Ru/c2*16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13;;;;;/h2*1-10H;2*1H;2*1H2;/q;;;;;;+2/p-2
InChIKeyVTHDLYHAFPRQIN-UHFFFAOYSA-L
XLogP0.07
TPSA140.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500743.44
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate
CID 139057872
Tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))
CID 139115232
Tris(2,2'-bipyridine)diperchloratoruthenium
CID 139144531
Tris(2,2a(2)-bipyridine)ruthenium(2+)
CID 3939621
Tris(bipyridine)iron(II) chloride
CID 168447302
2,6-Dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium
CID 446591
2,6-Dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+)
CID 5289315

Frequently Asked Questions

What is the IUPAC name of bis(4-chloro-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dichloride;dihydrate?
The IUPAC name of bis(4-chloro-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dichloride;dihydrate (CID 139083901) is bis(4-chloro-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dichloride;dihydrate.
What is the SMILES notation for bis(4-chloro-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dichloride;dihydrate?
The canonical SMILES for bis(4-chloro-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dichloride;dihydrate is Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1.Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1.O.O.[Cl-].[Cl-].[Ru+2].
What is the InChIKey of bis(4-chloro-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dichloride;dihydrate?
The InChIKey is VTHDLYHAFPRQIN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H10ClN3.2ClH.2H2O.Ru/c2*16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13;;;;;/h2*1-10H;2*1H;2*1H2;/q;;;;;;+2/p-2.
What are the key properties of bis(4-chloro-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dichloride;dihydrate?
bis(4-chloro-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dichloride;dihydrate has a molecular weight of 743.44 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chloro-2,6-dipyridin-2-ylpyridine);ruthenium(2+);dichloride;dihydrate is sourced from PubChem (CID 139083901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).