2,6-dipyridin-2-ylpyridine;phenyl(pyridin-2-yl)diazene;ruthenium(2+);nitrite;tetrafluoroborate

C26H20BF4N7O2Ru — CID 139058292

IUPAC2,6-dipyridin-2-ylpyridine;phenyl(pyridin-2-yl)diazene;ruthenium(2+);nitrite;tetrafluoroborate
SMILESF[B-](F)(F)F.O=N[O-].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/C15H11N3.C11H9N3.BF4.HNO2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;2-1(3,4)5;2-1-3;/h1-11H;1-9H;;(H,2,3);/q;;-1;;+2/p-1/b;14-13+;;;
InChIKeyXVGZWVHXYDHALH-CRBINSBKSA-M
MW650.37 g/mol
LogP8.25
Rot. Bonds4

About 2,6-dipyridin-2-ylpyridine;phenyl(pyridin-2-yl)diazene;ruthenium(2+);nitrite;tetrafluoroborate

2,6-dipyridin-2-ylpyridine;phenyl(pyridin-2-yl)diazene;ruthenium(2+);nitrite;tetrafluoroborate (PubChem CID 139058292) has the molecular formula C26H20BF4N7O2Ru and a molecular weight of 650.37 g/mol. Its IUPAC name is 2,6-dipyridin-2-ylpyridine;phenyl(pyridin-2-yl)diazene;ruthenium(2+);nitrite;tetrafluoroborate.

Molecular Properties

Compound Name2,6-dipyridin-2-ylpyridine;phenyl(pyridin-2-yl)diazene;ruthenium(2+);nitrite;tetrafluoroborate
PubChem CID139058292
Molecular FormulaC26H20BF4N7O2Ru
Molecular Weight650.37 g/mol
Exact Mass651.08
IUPAC Name2,6-dipyridin-2-ylpyridine;phenyl(pyridin-2-yl)diazene;ruthenium(2+);nitrite;tetrafluoroborate
SMILESF[B-](F)(F)F.O=N[O-].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(/N=N/c2ccccn2)cc1
InChIInChI=1S/C15H11N3.C11H9N3.BF4.HNO2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;2-1(3,4)5;2-1-3;/h1-11H;1-9H;;(H,2,3);/q;;-1;;+2/p-1/b;14-13+;;;
InChIKeyXVGZWVHXYDHALH-CRBINSBKSA-M
XLogP8.25
TPSA128.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.37
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Bis(bipyridine-kappa^2^N,N')nitratocopper(II) hexafluorophosphate
CID 139069582
2,6-dipyridin-2-ylpyridine;N-pyridin-2-ylpyridin-2-amine;ruthenium(2+);nitrite;perchlorate
CID 139130055
2,6-Dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite
CID 139141363
CID 139150064
CID 139150064
Bis(acetonitrile);phenyl(pyridin-2-yl)diazene;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate
CID 139164915
[Ru(trpy)(L2)(NO2)] ClO4
CID 168342883
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyridin-2-ylazanide)
CID 140728814
Dipyridin-2-yldiazene;2,6-dipyridin-2-ylpyridine;ruthenium;hydrate
CID 158088849

Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-ylpyridine;phenyl(pyridin-2-yl)diazene;ruthenium(2+);nitrite;tetrafluoroborate?
The IUPAC name of 2,6-dipyridin-2-ylpyridine;phenyl(pyridin-2-yl)diazene;ruthenium(2+);nitrite;tetrafluoroborate (CID 139058292) is 2,6-dipyridin-2-ylpyridine;phenyl(pyridin-2-yl)diazene;ruthenium(2+);nitrite;tetrafluoroborate.
What is the SMILES notation for 2,6-dipyridin-2-ylpyridine;phenyl(pyridin-2-yl)diazene;ruthenium(2+);nitrite;tetrafluoroborate?
The canonical SMILES for 2,6-dipyridin-2-ylpyridine;phenyl(pyridin-2-yl)diazene;ruthenium(2+);nitrite;tetrafluoroborate is F[B-](F)(F)F.O=N[O-].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(/N=N/c2ccccn2)cc1.
What is the InChIKey of 2,6-dipyridin-2-ylpyridine;phenyl(pyridin-2-yl)diazene;ruthenium(2+);nitrite;tetrafluoroborate?
The InChIKey is XVGZWVHXYDHALH-CRBINSBKSA-M. The full InChI is InChI=1S/C15H11N3.C11H9N3.BF4.HNO2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;2-1(3,4)5;2-1-3;/h1-11H;1-9H;;(H,2,3);/q;;-1;;+2/p-1/b;14-13+;;;.
What are the key properties of 2,6-dipyridin-2-ylpyridine;phenyl(pyridin-2-yl)diazene;ruthenium(2+);nitrite;tetrafluoroborate?
2,6-dipyridin-2-ylpyridine;phenyl(pyridin-2-yl)diazene;ruthenium(2+);nitrite;tetrafluoroborate has a molecular weight of 650.37 g/mol, XLogP of 8.25, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-2-ylpyridine;phenyl(pyridin-2-yl)diazene;ruthenium(2+);nitrite;tetrafluoroborate is sourced from PubChem (CID 139058292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).