bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate

C34H25Cl2F3N8O8Ru — CID 139163369

IUPACbis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate
SMILESFC(F)(F)c1ccccc1-n1cc(-c2ccccn2)nn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C14H9F3N4.2C10H8N2.2ClHO4.Ru/c15-14(16,17)10-5-1-2-7-13(10)21-9-12(19-20-21)11-6-3-4-8-18-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h1-9H;2*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyTUKQJSJIYVNGKO-UHFFFAOYSA-L
MW902.59 g/mol
LogP-1.88
Rot. Bonds4

About bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate

bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate (PubChem CID 139163369) has the molecular formula C34H25Cl2F3N8O8Ru and a molecular weight of 902.59 g/mol. Its IUPAC name is bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate.

Molecular Properties

Compound Namebis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate
PubChem CID139163369
Molecular FormulaC34H25Cl2F3N8O8Ru
Molecular Weight902.59 g/mol
Exact Mass902.02
IUPAC Namebis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate
SMILESFC(F)(F)c1ccccc1-n1cc(-c2ccccn2)nn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C14H9F3N4.2C10H8N2.2ClHO4.Ru/c15-14(16,17)10-5-1-2-7-13(10)21-9-12(19-20-21)11-6-3-4-8-18-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h1-9H;2*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyTUKQJSJIYVNGKO-UHFFFAOYSA-L
XLogP-1.88
TPSA279.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.59
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

ZINC;benzene;bis(iron(2+));tris(5-[(4-pyridin-2-yltriazol-1-yl)methyl]-2-[5-[(4-pyridin-2-yltriazol-1-yl)methyl]-2-pyridinyl]pyridine);hexakis(trifluoromethanesulfonate)
CID 139142934
2-(4,5-Dimethylpyrazol-2-id-3-yl)pyrazine;4-fluoro-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);bis(4-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(platinum(2+))
CID 161352020
5-(1-Butyltriazol-4-yl)-2-[5-(1-butyltriazol-4-yl)-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139108058
Copper;bis(2-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyridine);diperchlorate
CID 139137070
Copper;bis(2-(azidomethyl)-6-[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate
CID 139137071
Copper;bis(2,6-bis[(4-pyridin-2-yltriazol-1-yl)methyl]pyridine);diperchlorate;dihydrate
CID 139137074
Copper;bis(2-(1-benzyltriazol-4-yl)pyridine);diperchlorate
CID 139137076
Acetonitrile;2-(1-phenyltriazol-4-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139142697
Bis(acetonitrile);manganese(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);diperchlorate
CID 139142958
Iron;bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine)
CID 139142959
Cobalt(2+);bis(2-(6-pyrazin-2-yl-4-pyridin-4-yl-2-pyridinyl)pyrazine);ditetrafluoroborate
CID 139142961
Iron(2+);bis(4-phenyl-2,6-dipyridin-2-ylpyridine);dichloride;decahydrate
CID 139145220

Frequently Asked Questions

What is the IUPAC name of bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate?
The IUPAC name of bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate (CID 139163369) is bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate.
What is the SMILES notation for bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate?
The canonical SMILES for bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate is FC(F)(F)c1ccccc1-n1cc(-c2ccccn2)nn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate?
The InChIKey is TUKQJSJIYVNGKO-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H9F3N4.2C10H8N2.2ClHO4.Ru/c15-14(16,17)10-5-1-2-7-13(10)21-9-12(19-20-21)11-6-3-4-8-18-11;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h1-9H;2*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2.
What are the key properties of bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate?
bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate has a molecular weight of 902.59 g/mol, XLogP of -1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyridin-2-ylpyridine);ruthenium(2+);2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]pyridine;diperchlorate is sourced from PubChem (CID 139163369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).