2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate

C25H19ClF12N5P2Ru — CID 138455536

IUPAC2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cl-].[Ru+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C15H11N3.C10H8N2.ClH.2F6P.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;2*1-7(2,3,4,5)6;/h1-11H;1-8H;1H;;;/q;;;2*-1;+3/p-1
InChIKeyBZLKDIPAINSUET-UHFFFAOYSA-M
MW815.91 g/mol
LogP9.12
Rot. Bonds3

About 2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate

2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate (PubChem CID 138455536) has the molecular formula C25H19ClF12N5P2Ru and a molecular weight of 815.91 g/mol. Its IUPAC name is 2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate.

Molecular Properties

Compound Name2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
PubChem CID138455536
Molecular FormulaC25H19ClF12N5P2Ru
Molecular Weight815.91 g/mol
Exact Mass815.97
IUPAC Name2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cl-].[Ru+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C15H11N3.C10H8N2.ClH.2F6P.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;2*1-7(2,3,4,5)6;/h1-11H;1-8H;1H;;;/q;;;2*-1;+3/p-1
InChIKeyBZLKDIPAINSUET-UHFFFAOYSA-M
XLogP9.12
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.91
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate
CID 139261288
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145
bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(4+);tetrahexafluorophosphate
CID 156597290
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate
CID 11251912
chlororuthenium(2+);2,6-dipyridin-2-ylpyridine;2-phenylpyridine;hexafluorophosphate
CID 50901693
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179
manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate
CID 11061040
2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
CID 161405876
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate?
The IUPAC name of 2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate (CID 138455536) is 2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate.
What is the SMILES notation for 2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate?
The canonical SMILES for 2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cl-].[Ru+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate?
The InChIKey is BZLKDIPAINSUET-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11N3.C10H8N2.ClH.2F6P.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;2*1-7(2,3,4,5)6;/h1-11H;1-8H;1H;;;/q;;;2*-1;+3/p-1.
What are the key properties of 2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate?
2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate has a molecular weight of 815.91 g/mol, XLogP of 9.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate is sourced from PubChem (CID 138455536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).