About 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)
2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+) (PubChem CID 176846170) has the molecular formula C37H34BrN6OOs
and a molecular weight of 848.85 g/mol. Its IUPAC name is 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+).
Molecular Properties
| Compound Name | 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+) |
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| PubChem CID | 176846170 |
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| Molecular Formula | C37H34BrN6OOs |
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| Molecular Weight | 848.85 g/mol |
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| Exact Mass | 849.16 |
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| IUPAC Name | 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+) |
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| SMILES | Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C(CBr)Nc1cc[c-]c(-c2ccccn2)c1.[Os+] |
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| InChI | InChI=1S/C13H10BrN2O.2C12H12N2.Os/c14-9-13(17)16-11-5-3-4-10(8-11)12-6-1-2-7-15-12;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h1-3,5-8H,9H2,(H,16,17);2*3-8H,1-2H3;/q-1;;;+1 |
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| InChIKey | ZESWPDLMENJHSY-UHFFFAOYSA-N |
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| XLogP | 8.40 |
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| TPSA | 93.55 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 46 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 848.85 |
| LogP ≤ 5 | 8.40 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', '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-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)?
The IUPAC name of 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+) (CID 176846170) is 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+).
What is the SMILES notation for 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)?
The canonical SMILES for 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+) is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C(CBr)Nc1cc[c-]c(-c2ccccn2)c1.[Os+].
What is the InChIKey of 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)?
The InChIKey is ZESWPDLMENJHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN2O.2C12H12N2.Os/c14-9-13(17)16-11-5-3-4-10(8-11)12-6-1-2-7-15-12;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h1-3,5-8H,9H2,(H,16,17);2*3-8H,1-2H3;/q-1;;;+1.
What are the key properties of 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)?
2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+) has a molecular weight of 848.85 g/mol, XLogP of 8.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+) is sourced from PubChem (CID 176846170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).