About 5-bromo-8-chloro-1,7-naphthyridine
5-bromo-8-chloro-1,7-naphthyridine (PubChem CID 42281365) has the molecular formula C8H4BrClN2
and a molecular weight of 243.49 g/mol. Its IUPAC name is 5-bromo-8-chloro-1,7-naphthyridine.
Molecular Properties
| Compound Name | 5-bromo-8-chloro-1,7-naphthyridine |
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| PubChem CID | 42281365 |
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| Molecular Formula | C8H4BrClN2 |
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| Molecular Weight | 243.49 g/mol |
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| Exact Mass | 241.92 |
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| IUPAC Name | 5-bromo-8-chloro-1,7-naphthyridine |
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| SMILES | Clc1ncc(Br)c2cccnc12 |
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| InChI | InChI=1S/C8H4BrClN2/c9-6-4-12-8(10)7-5(6)2-1-3-11-7/h1-4H |
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| InChIKey | GEVCHQPTJOFDSA-UHFFFAOYSA-N |
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| XLogP | 3.05 |
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| TPSA | 25.78 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 | 12 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 243.49 |
| LogP ≤ 5 | 3.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-bromo-8-chloro-1,7-naphthyridine?
The IUPAC name of 5-bromo-8-chloro-1,7-naphthyridine (CID 42281365) is 5-bromo-8-chloro-1,7-naphthyridine.
What is the SMILES notation for 5-bromo-8-chloro-1,7-naphthyridine?
The canonical SMILES for 5-bromo-8-chloro-1,7-naphthyridine is Clc1ncc(Br)c2cccnc12.
What is the InChIKey of 5-bromo-8-chloro-1,7-naphthyridine?
The InChIKey is GEVCHQPTJOFDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2/c9-6-4-12-8(10)7-5(6)2-1-3-11-7/h1-4H.
What are the key properties of 5-bromo-8-chloro-1,7-naphthyridine?
5-bromo-8-chloro-1,7-naphthyridine has a molecular weight of 243.49 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-chloro-1,7-naphthyridine is sourced from PubChem (CID 42281365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).