tris(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate

C30H24Cl2N6O8Ru — CID 139144531

IUPACtris(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.2ClHO4.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h3*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyBXKPAPTYLLPPEO-UHFFFAOYSA-L
MW768.53 g/mol
LogP-3.08
Rot. Bonds3

About tris(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate

tris(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate (PubChem CID 139144531) has the molecular formula C30H24Cl2N6O8Ru and a molecular weight of 768.53 g/mol. Its IUPAC name is tris(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate.

Molecular Properties

Compound Nametris(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate
PubChem CID139144531
Molecular FormulaC30H24Cl2N6O8Ru
Molecular Weight768.53 g/mol
Exact Mass768.01
IUPAC Nametris(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.2ClHO4.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h3*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyBXKPAPTYLLPPEO-UHFFFAOYSA-L
XLogP-3.08
TPSA261.82 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.53
LogP ≤ 5-3.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

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
dichlorobis(2,2'-bipyridyl)chromium(III)
CID 147008
Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Iron(2+), tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-, perchlorate (1:2)
CID 84889
Tris(2,2'-bipyridyl)-Fe(II) complex
CID 193497
2,2':6',2''-Terpyridine, 6,6'''-(1,6-hexanediyl)bis-
CID 3044372

Frequently Asked Questions

What is the IUPAC name of tris(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate?
The IUPAC name of tris(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate (CID 139144531) is tris(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate.
What is the SMILES notation for tris(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate?
The canonical SMILES for tris(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate is [O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of tris(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate?
The InChIKey is BXKPAPTYLLPPEO-UHFFFAOYSA-L. The full InChI is InChI=1S/3C10H8N2.2ClHO4.Ru/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h3*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2.
What are the key properties of tris(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate?
tris(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate has a molecular weight of 768.53 g/mol, XLogP of -3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-pyridin-2-ylpyridine);ruthenium(2+);diperchlorate is sourced from PubChem (CID 139144531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).