About cadmium(2+);bis(2-[(Z)-C-hydroxy-N-[(2-hydroxybenzoyl)amino]carbonimidoyl]phenolate);bis(pyridine)
cadmium(2+);bis(2-[(Z)-C-hydroxy-N-[(2-hydroxybenzoyl)amino]carbonimidoyl]phenolate);bis(pyridine) (PubChem CID 139075541) has the molecular formula C38H32CdN6O8
and a molecular weight of 813.12 g/mol. Its IUPAC name is cadmium(2+);bis(2-[(Z)-C-hydroxy-N-[(2-hydroxybenzoyl)amino]carbonimidoyl]phenolate);bis(pyridine).
Molecular Properties
| Compound Name | cadmium(2+);bis(2-[(Z)-C-hydroxy-N-[(2-hydroxybenzoyl)amino]carbonimidoyl]phenolate);bis(pyridine) |
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| PubChem CID | 139075541 |
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| Molecular Formula | C38H32CdN6O8 |
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| Molecular Weight | 813.12 g/mol |
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| Exact Mass | 814.13 |
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| IUPAC Name | cadmium(2+);bis(2-[(Z)-C-hydroxy-N-[(2-hydroxybenzoyl)amino]carbonimidoyl]phenolate);bis(pyridine) |
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| SMILES | O=C(N/N=C(/O)c1ccccc1[O-])c1ccccc1O.O=C(N/N=C(/O)c1ccccc1[O-])c1ccccc1O.[Cd+2].c1ccncc1.c1ccncc1 |
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| InChI | InChI=1S/2C14H12N2O4.2C5H5N.Cd/c2*17-11-7-3-1-5-9(11)13(19)15-16-14(20)10-6-2-4-8-12(10)18;2*1-2-4-6-5-3-1;/h2*1-8,17-18H,(H,15,19)(H,16,20);2*1-5H;/q;;;;+2/p-2 |
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| InChIKey | OKOJAOIUXYGRRQ-UHFFFAOYSA-L |
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| XLogP | 4.39 |
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| TPSA | 235.74 Ų |
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| H-Bond Donors | 6 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 53 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 813.12 |
| LogP ≤ 5 | 4.39 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 cadmium(2+);bis(2-[(Z)-C-hydroxy-N-[(2-hydroxybenzoyl)amino]carbonimidoyl]phenolate);bis(pyridine)?
The IUPAC name of cadmium(2+);bis(2-[(Z)-C-hydroxy-N-[(2-hydroxybenzoyl)amino]carbonimidoyl]phenolate);bis(pyridine) (CID 139075541) is cadmium(2+);bis(2-[(Z)-C-hydroxy-N-[(2-hydroxybenzoyl)amino]carbonimidoyl]phenolate);bis(pyridine).
What is the SMILES notation for cadmium(2+);bis(2-[(Z)-C-hydroxy-N-[(2-hydroxybenzoyl)amino]carbonimidoyl]phenolate);bis(pyridine)?
The canonical SMILES for cadmium(2+);bis(2-[(Z)-C-hydroxy-N-[(2-hydroxybenzoyl)amino]carbonimidoyl]phenolate);bis(pyridine) is O=C(N/N=C(/O)c1ccccc1[O-])c1ccccc1O.O=C(N/N=C(/O)c1ccccc1[O-])c1ccccc1O.[Cd+2].c1ccncc1.c1ccncc1.
What is the InChIKey of cadmium(2+);bis(2-[(Z)-C-hydroxy-N-[(2-hydroxybenzoyl)amino]carbonimidoyl]phenolate);bis(pyridine)?
The InChIKey is OKOJAOIUXYGRRQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H12N2O4.2C5H5N.Cd/c2*17-11-7-3-1-5-9(11)13(19)15-16-14(20)10-6-2-4-8-12(10)18;2*1-2-4-6-5-3-1;/h2*1-8,17-18H,(H,15,19)(H,16,20);2*1-5H;/q;;;;+2/p-2.
What are the key properties of cadmium(2+);bis(2-[(Z)-C-hydroxy-N-[(2-hydroxybenzoyl)amino]carbonimidoyl]phenolate);bis(pyridine)?
cadmium(2+);bis(2-[(Z)-C-hydroxy-N-[(2-hydroxybenzoyl)amino]carbonimidoyl]phenolate);bis(pyridine) has a molecular weight of 813.12 g/mol, XLogP of 4.39, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(2-[(Z)-C-hydroxy-N-[(2-hydroxybenzoyl)amino]carbonimidoyl]phenolate);bis(pyridine) is sourced from PubChem (CID 139075541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).