About 7-bromo-2-chloro-4-methylquinoline
7-bromo-2-chloro-4-methylquinoline (PubChem CID 14570303) has the molecular formula C10H7BrClN
and a molecular weight of 256.53 g/mol. Its IUPAC name is 7-bromo-2-chloro-4-methylquinoline.
Molecular Properties
| Compound Name | 7-bromo-2-chloro-4-methylquinoline |
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| PubChem CID | 14570303 |
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| Molecular Formula | C10H7BrClN |
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| Molecular Weight | 256.53 g/mol |
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| Exact Mass | 254.95 |
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| IUPAC Name | 7-bromo-2-chloro-4-methylquinoline |
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| SMILES | Cc1cc(Cl)nc2cc(Br)ccc12 |
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| InChI | InChI=1S/C10H7BrClN/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,1H3 |
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| InChIKey | FCQMZVFGSMJLPM-UHFFFAOYSA-N |
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| XLogP | 3.96 |
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| TPSA | 12.89 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 13 |
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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 | 256.53 |
| LogP ≤ 5 | 3.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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 7-bromo-2-chloro-4-methylquinoline?
The IUPAC name of 7-bromo-2-chloro-4-methylquinoline (CID 14570303) is 7-bromo-2-chloro-4-methylquinoline.
What is the SMILES notation for 7-bromo-2-chloro-4-methylquinoline?
The canonical SMILES for 7-bromo-2-chloro-4-methylquinoline is Cc1cc(Cl)nc2cc(Br)ccc12.
What is the InChIKey of 7-bromo-2-chloro-4-methylquinoline?
The InChIKey is FCQMZVFGSMJLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,1H3.
What are the key properties of 7-bromo-2-chloro-4-methylquinoline?
7-bromo-2-chloro-4-methylquinoline has a molecular weight of 256.53 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chloro-4-methylquinoline is sourced from PubChem (CID 14570303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).