acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate

C34H25Cl2N7O8Ru — CID 139139277

IUPACacetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate
SMILESC#Cc1cc(-c2ccccn2)nc(-c2ccccn2)c1.CC#N.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C17H11N3.C15H11N3.C2H3N.2ClHO4.Ru/c1-2-13-11-16(14-7-3-5-9-18-14)20-17(12-13)15-8-4-6-10-19-15;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-3;2*2-1(3,4)5;/h1,3-12H;1-11H;1H3;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyJJWGQJZMKYZRNJ-UHFFFAOYSA-L
MW831.59 g/mol
LogP-2.59
Rot. Bonds4

About acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate

acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate (PubChem CID 139139277) has the molecular formula C34H25Cl2N7O8Ru and a molecular weight of 831.59 g/mol. Its IUPAC name is acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate.

Molecular Properties

Compound Nameacetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate
PubChem CID139139277
Molecular FormulaC34H25Cl2N7O8Ru
Molecular Weight831.59 g/mol
Exact Mass831.02
IUPAC Nameacetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate
SMILESC#Cc1cc(-c2ccccn2)nc(-c2ccccn2)c1.CC#N.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C17H11N3.C15H11N3.C2H3N.2ClHO4.Ru/c1-2-13-11-16(14-7-3-5-9-18-14)20-17(12-13)15-8-4-6-10-19-15;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-3;2*2-1(3,4)5;/h1,3-12H;1-11H;1H3;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyJJWGQJZMKYZRNJ-UHFFFAOYSA-L
XLogP-2.59
TPSA285.61 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.59
LogP ≤ 5-2.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate with MolForge

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Related Compounds

4-ethynyl-2,6-dipyridin-2-ylpyridine
CID 10611160
manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate
CID 11061040
bis(acetonitrile);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 11320289
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
copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056
palladium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate
CID 19810782
octakis(acetonitrile);2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine;bis(ruthenium(2+));tetratetrafluoroborate;tetrahydrate
CID 139136377
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine);bis(ruthenium(2+));tetrahexafluorophosphate
CID 139184896
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate
CID 139154451
cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate
CID 139074463

Frequently Asked Questions

What is the IUPAC name of acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate?
The IUPAC name of acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate (CID 139139277) is acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate.
What is the SMILES notation for acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate?
The canonical SMILES for acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate is C#Cc1cc(-c2ccccn2)nc(-c2ccccn2)c1.CC#N.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate?
The InChIKey is JJWGQJZMKYZRNJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H11N3.C15H11N3.C2H3N.2ClHO4.Ru/c1-2-13-11-16(14-7-3-5-9-18-14)20-17(12-13)15-8-4-6-10-19-15;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-3;2*2-1(3,4)5;/h1,3-12H;1-11H;1H3;2*(H,2,3,4,5);/q;;;;;+2/p-2.
What are the key properties of acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate?
acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate has a molecular weight of 831.59 g/mol, XLogP of -2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;2,6-dipyridin-2-ylpyridine;4-ethynyl-2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate is sourced from PubChem (CID 139139277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).