About bis(2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate);osmium(4+);tetrakis(2-pyridin-2-ylpyridine)
bis(2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate);osmium(4+);tetrakis(2-pyridin-2-ylpyridine) (PubChem CID 19382113) has the molecular formula C64H44N12O8Os
and a molecular weight of 1299.36 g/mol. Its IUPAC name is bis(2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate);osmium(4+);tetrakis(2-pyridin-2-ylpyridine).
Molecular Properties
| Compound Name | bis(2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate);osmium(4+);tetrakis(2-pyridin-2-ylpyridine) |
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| PubChem CID | 19382113 |
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| Molecular Formula | C64H44N12O8Os |
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| Molecular Weight | 1299.36 g/mol |
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| Exact Mass | 1300.30 |
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| IUPAC Name | bis(2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate);osmium(4+);tetrakis(2-pyridin-2-ylpyridine) |
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| SMILES | O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Os+4].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
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| InChI | InChI=1S/2C12H8N2O4.4C10H8N2.Os/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*1-6H,(H,15,16)(H,17,18);4*1-8H;/q;;;;;;+4/p-4 |
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| InChIKey | ULWXMMJFNXWILJ-UHFFFAOYSA-J |
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| XLogP | 6.31 |
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| TPSA | 315.20 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 20 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 85 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1299.36 |
| LogP ≤ 5 | 6.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
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Frequently Asked Questions
What is the IUPAC name of bis(2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate);osmium(4+);tetrakis(2-pyridin-2-ylpyridine)?
The IUPAC name of bis(2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate);osmium(4+);tetrakis(2-pyridin-2-ylpyridine) (CID 19382113) is bis(2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate);osmium(4+);tetrakis(2-pyridin-2-ylpyridine).
What is the SMILES notation for bis(2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate);osmium(4+);tetrakis(2-pyridin-2-ylpyridine)?
The canonical SMILES for bis(2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate);osmium(4+);tetrakis(2-pyridin-2-ylpyridine) is O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Os+4].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate);osmium(4+);tetrakis(2-pyridin-2-ylpyridine)?
The InChIKey is ULWXMMJFNXWILJ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H8N2O4.4C10H8N2.Os/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*1-6H,(H,15,16)(H,17,18);4*1-8H;/q;;;;;;+4/p-4.
What are the key properties of bis(2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate);osmium(4+);tetrakis(2-pyridin-2-ylpyridine)?
bis(2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate);osmium(4+);tetrakis(2-pyridin-2-ylpyridine) has a molecular weight of 1299.36 g/mol, XLogP of 6.31, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate);osmium(4+);tetrakis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 19382113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).