About [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)
[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) (PubChem CID 58321388) has the molecular formula C33H24N5O4Ru
and a molecular weight of 655.66 g/mol. Its IUPAC name is [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+).
Molecular Properties
| Compound Name | [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) |
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| PubChem CID | 58321388 |
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| Molecular Formula | C33H24N5O4Ru |
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| Molecular Weight | 655.66 g/mol |
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| Exact Mass | 656.09 |
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| IUPAC Name | [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) |
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| SMILES | O=COc1ccnc(-c2cc(OC=O)ccn2)c1.[Ru+].[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1 |
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| InChI | InChI=1S/C12H8N2O4.C11H8N.C10H8N2.Ru/c15-7-17-9-1-3-13-11(5-9)12-6-10(18-8-16)2-4-14-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-8H;1-6,8-9H;1-8H;/q;-1;;+1 |
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| InChIKey | WFAVKVYRLNSCNP-UHFFFAOYSA-N |
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| XLogP | 5.90 |
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| TPSA | 117.05 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 7 |
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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 | 655.66 |
| LogP ≤ 5 | 5.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?
The IUPAC name of [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) (CID 58321388) is [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+).
What is the SMILES notation for [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?
The canonical SMILES for [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) is O=COc1ccnc(-c2cc(OC=O)ccn2)c1.[Ru+].[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?
The InChIKey is WFAVKVYRLNSCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4.C11H8N.C10H8N2.Ru/c15-7-17-9-1-3-13-11(5-9)12-6-10(18-8-16)2-4-14-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-8H;1-6,8-9H;1-8H;/q;-1;;+1.
What are the key properties of [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+)?
[2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) has a molecular weight of 655.66 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-formyloxy-2-pyridinyl)-4-pyridinyl] formate;2-phenylpyridine;2-pyridin-2-ylpyridine;ruthenium(1+) is sourced from PubChem (CID 58321388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).