About tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+)
tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+) (PubChem CID 173036609) has the molecular formula C62H50N12O6RuS2
and a molecular weight of 1224.36 g/mol. Its IUPAC name is tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+).
Molecular Properties
| Compound Name | tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+) |
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| PubChem CID | 173036609 |
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| Molecular Formula | C62H50N12O6RuS2 |
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| Molecular Weight | 1224.36 g/mol |
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| Exact Mass | 1224.25 |
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| IUPAC Name | tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+) |
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| SMILES | O=S(=O)([O-])Cc1ccnc(-c2ccccn2)c1.O=S(=O)([O-])Cc1ccnc(-c2ccccn2)c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
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| InChI | InChI=1S/2C11H10N2O3S.4C10H8N2.Ru/c2*14-17(15,16)8-9-4-6-13-11(7-9)10-3-1-2-5-12-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*1-7H,8H2,(H,14,15,16);4*1-8H;/q;;;;;;+2/p-2 |
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| InChIKey | HPCRULFQGRNOJK-UHFFFAOYSA-L |
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| XLogP | 10.95 |
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| TPSA | 269.08 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 18 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 83 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1224.36 |
| LogP ≤ 5 | 10.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+)?
The IUPAC name of tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+) (CID 173036609) is tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+).
What is the SMILES notation for tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+)?
The canonical SMILES for tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+) is O=S(=O)([O-])Cc1ccnc(-c2ccccn2)c1.O=S(=O)([O-])Cc1ccnc(-c2ccccn2)c1.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+)?
The InChIKey is HPCRULFQGRNOJK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H10N2O3S.4C10H8N2.Ru/c2*14-17(15,16)8-9-4-6-13-11(7-9)10-3-1-2-5-12-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*1-7H,8H2,(H,14,15,16);4*1-8H;/q;;;;;;+2/p-2.
What are the key properties of tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+)?
tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+) has a molecular weight of 1224.36 g/mol, XLogP of 10.95, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-pyridin-2-ylpyridine);bis((2-pyridin-2-yl-4-pyridinyl)methanesulfonate);ruthenium(2+) is sourced from PubChem (CID 173036609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).