About 6-chloro-3-iodoimidazo[1,2-b]pyridazine
6-chloro-3-iodoimidazo[1,2-b]pyridazine (PubChem CID 53249897) has the molecular formula C6H3ClIN3
and a molecular weight of 279.47 g/mol. Its IUPAC name is 6-chloro-3-iodoimidazo[1,2-b]pyridazine.
Molecular Properties
| Compound Name | 6-chloro-3-iodoimidazo[1,2-b]pyridazine |
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| PubChem CID | 53249897 |
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| Molecular Formula | C6H3ClIN3 |
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| Molecular Weight | 279.47 g/mol |
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| Exact Mass | 278.91 |
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| IUPAC Name | 6-chloro-3-iodoimidazo[1,2-b]pyridazine |
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| SMILES | Clc1ccc2ncc(I)n2n1 |
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| InChI | InChI=1S/C6H3ClIN3/c7-4-1-2-6-9-3-5(8)11(6)10-4/h1-3H |
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| InChIKey | IWHCPHZAMFSDFM-UHFFFAOYSA-N |
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| XLogP | 1.99 |
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| TPSA | 30.19 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 279.47 |
| LogP ≤ 5 | 1.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-chloro-3-iodoimidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-3-iodoimidazo[1,2-b]pyridazine (CID 53249897) is 6-chloro-3-iodoimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-3-iodoimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-3-iodoimidazo[1,2-b]pyridazine is Clc1ccc2ncc(I)n2n1.
What is the InChIKey of 6-chloro-3-iodoimidazo[1,2-b]pyridazine?
The InChIKey is IWHCPHZAMFSDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClIN3/c7-4-1-2-6-9-3-5(8)11(6)10-4/h1-3H.
What are the key properties of 6-chloro-3-iodoimidazo[1,2-b]pyridazine?
6-chloro-3-iodoimidazo[1,2-b]pyridazine has a molecular weight of 279.47 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-iodoimidazo[1,2-b]pyridazine is sourced from PubChem (CID 53249897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).