About cobalt(3+);2-(3-ethoxypropyliminomethyl)-6-methoxyphenolate;bis(2-pyridin-2-ylpyridine);diperchlorate
cobalt(3+);2-(3-ethoxypropyliminomethyl)-6-methoxyphenolate;bis(2-pyridin-2-ylpyridine);diperchlorate (PubChem CID 139169092) has the molecular formula C33H34Cl2CoN5O11
and a molecular weight of 806.50 g/mol. Its IUPAC name is cobalt(3+);2-(3-ethoxypropyliminomethyl)-6-methoxyphenolate;bis(2-pyridin-2-ylpyridine);diperchlorate.
Molecular Properties
| Compound Name | cobalt(3+);2-(3-ethoxypropyliminomethyl)-6-methoxyphenolate;bis(2-pyridin-2-ylpyridine);diperchlorate |
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| PubChem CID | 139169092 |
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| Molecular Formula | C33H34Cl2CoN5O11 |
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| Molecular Weight | 806.50 g/mol |
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| Exact Mass | 805.10 |
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| IUPAC Name | cobalt(3+);2-(3-ethoxypropyliminomethyl)-6-methoxyphenolate;bis(2-pyridin-2-ylpyridine);diperchlorate |
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| SMILES | CCOCCC/N=C/c1cccc(OC)c1[O-].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
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| InChI | InChI=1S/C13H19NO3.2C10H8N2.2ClHO4.Co/c1-3-17-9-5-8-14-10-11-6-4-7-12(16-2)13(11)15;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h4,6-7,10,15H,3,5,8-9H2,1-2H3;2*1-8H;2*(H,2,3,4,5);/q;;;;;+3/p-3/b14-10+;;;;; |
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| InChIKey | PATLYOVWEBSPPZ-RJIAXZECSA-K |
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| XLogP | -3.61 |
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| TPSA | 289.92 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 16 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 52 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 806.50 |
| LogP ≤ 5 | -3.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of cobalt(3+);2-(3-ethoxypropyliminomethyl)-6-methoxyphenolate;bis(2-pyridin-2-ylpyridine);diperchlorate?
The IUPAC name of cobalt(3+);2-(3-ethoxypropyliminomethyl)-6-methoxyphenolate;bis(2-pyridin-2-ylpyridine);diperchlorate (CID 139169092) is cobalt(3+);2-(3-ethoxypropyliminomethyl)-6-methoxyphenolate;bis(2-pyridin-2-ylpyridine);diperchlorate.
What is the SMILES notation for cobalt(3+);2-(3-ethoxypropyliminomethyl)-6-methoxyphenolate;bis(2-pyridin-2-ylpyridine);diperchlorate?
The canonical SMILES for cobalt(3+);2-(3-ethoxypropyliminomethyl)-6-methoxyphenolate;bis(2-pyridin-2-ylpyridine);diperchlorate is CCOCCC/N=C/c1cccc(OC)c1[O-].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of cobalt(3+);2-(3-ethoxypropyliminomethyl)-6-methoxyphenolate;bis(2-pyridin-2-ylpyridine);diperchlorate?
The InChIKey is PATLYOVWEBSPPZ-RJIAXZECSA-K. The full InChI is InChI=1S/C13H19NO3.2C10H8N2.2ClHO4.Co/c1-3-17-9-5-8-14-10-11-6-4-7-12(16-2)13(11)15;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h4,6-7,10,15H,3,5,8-9H2,1-2H3;2*1-8H;2*(H,2,3,4,5);/q;;;;;+3/p-3/b14-10+;;;;;.
What are the key properties of cobalt(3+);2-(3-ethoxypropyliminomethyl)-6-methoxyphenolate;bis(2-pyridin-2-ylpyridine);diperchlorate?
cobalt(3+);2-(3-ethoxypropyliminomethyl)-6-methoxyphenolate;bis(2-pyridin-2-ylpyridine);diperchlorate has a molecular weight of 806.50 g/mol, XLogP of -3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);2-(3-ethoxypropyliminomethyl)-6-methoxyphenolate;bis(2-pyridin-2-ylpyridine);diperchlorate is sourced from PubChem (CID 139169092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).