About 2,6-dipyridin-2-ylpyridine;1-methyl-2-pyridin-2-ylbenzimidazole;ruthenium(2+);nitrite;perchlorate
2,6-dipyridin-2-ylpyridine;1-methyl-2-pyridin-2-ylbenzimidazole;ruthenium(2+);nitrite;perchlorate (PubChem CID 139036881) has the molecular formula C28H22ClN7O6Ru
and a molecular weight of 689.05 g/mol. Its IUPAC name is 2,6-dipyridin-2-ylpyridine;1-methyl-2-pyridin-2-ylbenzimidazole;ruthenium(2+);nitrite;perchlorate.
Molecular Properties
| Compound Name | 2,6-dipyridin-2-ylpyridine;1-methyl-2-pyridin-2-ylbenzimidazole;ruthenium(2+);nitrite;perchlorate |
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| PubChem CID | 139036881 |
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| Molecular Formula | C28H22ClN7O6Ru |
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| Molecular Weight | 689.05 g/mol |
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| Exact Mass | 689.04 |
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| IUPAC Name | 2,6-dipyridin-2-ylpyridine;1-methyl-2-pyridin-2-ylbenzimidazole;ruthenium(2+);nitrite;perchlorate |
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| SMILES | Cn1c(-c2ccccn2)nc2ccccc21.O=N[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1 |
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| InChI | InChI=1S/C15H11N3.C13H11N3.ClHO4.HNO2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-16-12-8-3-2-6-10(12)15-13(16)11-7-4-5-9-14-11;2-1(3,4)5;2-1-3;/h1-11H;2-9H,1H3;(H,2,3,4,5);(H,2,3);/q;;;;+2/p-2 |
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| InChIKey | NRQFPLYNWHNCAT-UHFFFAOYSA-L |
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| XLogP | 1.33 |
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| TPSA | 214.11 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 13 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 689.05 |
| LogP ≤ 5 | 1.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2,6-dipyridin-2-ylpyridine;1-methyl-2-pyridin-2-ylbenzimidazole;ruthenium(2+);nitrite;perchlorate?
The IUPAC name of 2,6-dipyridin-2-ylpyridine;1-methyl-2-pyridin-2-ylbenzimidazole;ruthenium(2+);nitrite;perchlorate (CID 139036881) is 2,6-dipyridin-2-ylpyridine;1-methyl-2-pyridin-2-ylbenzimidazole;ruthenium(2+);nitrite;perchlorate.
What is the SMILES notation for 2,6-dipyridin-2-ylpyridine;1-methyl-2-pyridin-2-ylbenzimidazole;ruthenium(2+);nitrite;perchlorate?
The canonical SMILES for 2,6-dipyridin-2-ylpyridine;1-methyl-2-pyridin-2-ylbenzimidazole;ruthenium(2+);nitrite;perchlorate is Cn1c(-c2ccccn2)nc2ccccc21.O=N[O-].[O-][Cl+3]([O-])([O-])[O-].[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2,6-dipyridin-2-ylpyridine;1-methyl-2-pyridin-2-ylbenzimidazole;ruthenium(2+);nitrite;perchlorate?
The InChIKey is NRQFPLYNWHNCAT-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H11N3.C13H11N3.ClHO4.HNO2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-16-12-8-3-2-6-10(12)15-13(16)11-7-4-5-9-14-11;2-1(3,4)5;2-1-3;/h1-11H;2-9H,1H3;(H,2,3,4,5);(H,2,3);/q;;;;+2/p-2.
What are the key properties of 2,6-dipyridin-2-ylpyridine;1-methyl-2-pyridin-2-ylbenzimidazole;ruthenium(2+);nitrite;perchlorate?
2,6-dipyridin-2-ylpyridine;1-methyl-2-pyridin-2-ylbenzimidazole;ruthenium(2+);nitrite;perchlorate has a molecular weight of 689.05 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-2-ylpyridine;1-methyl-2-pyridin-2-ylbenzimidazole;ruthenium(2+);nitrite;perchlorate is sourced from PubChem (CID 139036881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).