About 4-bromoindeno[1,2-b]pyridin-5-one
4-bromoindeno[1,2-b]pyridin-5-one (PubChem CID 621237) has the molecular formula C12H6BrNO
and a molecular weight of 260.09 g/mol. Its IUPAC name is 4-bromoindeno[1,2-b]pyridin-5-one.
Molecular Properties
| Compound Name | 4-bromoindeno[1,2-b]pyridin-5-one |
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| PubChem CID | 621237 |
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| Molecular Formula | C12H6BrNO |
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| Molecular Weight | 260.09 g/mol |
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| Exact Mass | 258.96 |
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| IUPAC Name | 4-bromoindeno[1,2-b]pyridin-5-one |
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| SMILES | O=C1c2ccccc2-c2nccc(Br)c21 |
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| InChI | InChI=1S/C12H6BrNO/c13-9-5-6-14-11-7-3-1-2-4-8(7)12(15)10(9)11/h1-6H |
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| InChIKey | SBWIUXGGOLDUHW-UHFFFAOYSA-N |
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| XLogP | 3.06 |
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| TPSA | 29.96 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 15 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 260.09 |
| LogP ≤ 5 | 3.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-bromoindeno[1,2-b]pyridin-5-one?
The IUPAC name of 4-bromoindeno[1,2-b]pyridin-5-one (CID 621237) is 4-bromoindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 4-bromoindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 4-bromoindeno[1,2-b]pyridin-5-one is O=C1c2ccccc2-c2nccc(Br)c21.
What is the InChIKey of 4-bromoindeno[1,2-b]pyridin-5-one?
The InChIKey is SBWIUXGGOLDUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrNO/c13-9-5-6-14-11-7-3-1-2-4-8(7)12(15)10(9)11/h1-6H.
What are the key properties of 4-bromoindeno[1,2-b]pyridin-5-one?
4-bromoindeno[1,2-b]pyridin-5-one has a molecular weight of 260.09 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromoindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 621237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).