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

C28H22Cl2N6O9Ru — CID 139129649

IUPACacetonitrile;dipyridin-2-ylmethanone;2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate
SMILESCC#N.O=C(c1ccccn1)c1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.C11H8N2O.C2H3N.2ClHO4.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;1-2-3;2*2-1(3,4)5;/h1-11H;1-8H;1H3;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyYUHZOWIJKIGOBN-UHFFFAOYSA-L
MW758.49 g/mol
LogP-4.07
Rot. Bonds4

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

acetonitrile;dipyridin-2-ylmethanone;2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate (PubChem CID 139129649) has the molecular formula C28H22Cl2N6O9Ru and a molecular weight of 758.49 g/mol. Its IUPAC name is acetonitrile;dipyridin-2-ylmethanone;2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate.

Molecular Properties

Compound Nameacetonitrile;dipyridin-2-ylmethanone;2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate
PubChem CID139129649
Molecular FormulaC28H22Cl2N6O9Ru
Molecular Weight758.49 g/mol
Exact Mass757.99
IUPAC Nameacetonitrile;dipyridin-2-ylmethanone;2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate
SMILESCC#N.O=C(c1ccccn1)c1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.C11H8N2O.C2H3N.2ClHO4.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;1-2-3;2*2-1(3,4)5;/h1-11H;1-8H;1H3;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyYUHZOWIJKIGOBN-UHFFFAOYSA-L
XLogP-4.07
TPSA289.79 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.49
LogP ≤ 5-4.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;dipyridin-2-ylmethanone;2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate?
The IUPAC name of acetonitrile;dipyridin-2-ylmethanone;2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate (CID 139129649) is acetonitrile;dipyridin-2-ylmethanone;2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate.
What is the SMILES notation for acetonitrile;dipyridin-2-ylmethanone;2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate?
The canonical SMILES for acetonitrile;dipyridin-2-ylmethanone;2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate is CC#N.O=C(c1ccccn1)c1ccccn1.[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;dipyridin-2-ylmethanone;2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate?
The InChIKey is YUHZOWIJKIGOBN-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H11N3.C11H8N2O.C2H3N.2ClHO4.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;1-2-3;2*2-1(3,4)5;/h1-11H;1-8H;1H3;2*(H,2,3,4,5);/q;;;;;+2/p-2.
What are the key properties of acetonitrile;dipyridin-2-ylmethanone;2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate?
acetonitrile;dipyridin-2-ylmethanone;2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate has a molecular weight of 758.49 g/mol, XLogP of -4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;dipyridin-2-ylmethanone;2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate is sourced from PubChem (CID 139129649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).