2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite

C23H17F6N8O2PRu — CID 139141363

IUPAC2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite
SMILESF[P-](F)(F)(F)(F)F.O=N[O-].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1cnc(-c2ncccn2)nc1
InChIInChI=1S/C15H11N3.C8H6N4.F6P.HNO2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-9-7(10-4-1)8-11-5-2-6-12-8;1-7(2,3,4,5)6;2-1-3;/h1-11H;1-6H;;(H,2,3);/q;;-1;;+2/p-1
InChIKeyUZDPUNNWLQUCDR-UHFFFAOYSA-M
MW683.48 g/mol
LogP7.77
Rot. Bonds3

About 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite

2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite (PubChem CID 139141363) has the molecular formula C23H17F6N8O2PRu and a molecular weight of 683.48 g/mol. Its IUPAC name is 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite.

Molecular Properties

Compound Name2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite
PubChem CID139141363
Molecular FormulaC23H17F6N8O2PRu
Molecular Weight683.48 g/mol
Exact Mass684.02
IUPAC Name2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite
SMILESF[P-](F)(F)(F)(F)F.O=N[O-].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1cnc(-c2ncccn2)nc1
InChIInChI=1S/C15H11N3.C8H6N4.F6P.HNO2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-9-7(10-4-1)8-11-5-2-6-12-8;1-7(2,3,4,5)6;2-1-3;/h1-11H;1-6H;;(H,2,3);/q;;-1;;+2/p-1
InChIKeyUZDPUNNWLQUCDR-UHFFFAOYSA-M
XLogP7.77
TPSA142.72 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.48
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; 2-(2-pyridyl)pyridine; ruthenium(3+); hexafluorophosphate; nitrate
CID 6481877
iridium(3+);bis(2-methyl-4-pyridin-2-yl-5H-pyrimidin-5-ide);4-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyrimidine
CID 157973675
5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-4-(trifluoromethyl)pyrimidine;2-methyl-6-(trifluoromethyl)-3-[6-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide
CID 161219432
Imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(1+)
CID 444551
2-Imidazol-3-id-2-yl-6-pyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
CID 66575096
bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1H-imidazol-1-yl)ruthenium(2+)
CID 137349193
Imidazol-3-ide;bis(2-pyridin-2-ylpyridine);ruthenium(3+)
CID 46936282
Bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate
CID 139035237
tris(4,4'-bipyrimidine)ruthenium(II) dihexafluorophosphate monoacetone
CID 139054855
(Nitro-kappaN)[2-(phenyldiazenyl-kappaN^2^)pyridine-kappaN] (2,2',6',2''-terpyridine-kappa^3^N)ruthenium(II) tetrafluoroborate
CID 139058292
Bis[2,4-bis(2-pyridyl-kappaN)-6-(4-pyridyl)-1,3,5-triazine-kappaN^3^]ruthenium(II) bis(hexafluorophosphate)
CID 139067792
Bis(2-phenyl-4,6-di-2-pyridyl-1,3,5-triazine-kappa^3^N^4^,N^5^,N^6^)ruthenium(II) bis(hexafluoridophosphate)
CID 139074140

Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite?
The IUPAC name of 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite (CID 139141363) is 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite.
What is the SMILES notation for 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite?
The canonical SMILES for 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite is F[P-](F)(F)(F)(F)F.O=N[O-].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1cnc(-c2ncccn2)nc1.
What is the InChIKey of 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite?
The InChIKey is UZDPUNNWLQUCDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11N3.C8H6N4.F6P.HNO2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-9-7(10-4-1)8-11-5-2-6-12-8;1-7(2,3,4,5)6;2-1-3;/h1-11H;1-6H;;(H,2,3);/q;;-1;;+2/p-1.
What are the key properties of 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite?
2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite has a molecular weight of 683.48 g/mol, XLogP of 7.77, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite is sourced from PubChem (CID 139141363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).