Broxyquinoline

C₉H₅Br₂NO — CID 2453

About Broxyquinoline

Broxyquinoline (PubChem CID 2453) has the molecular formula C₉H₅Br₂NO and a molecular weight of 302.95 g/mol. Its IUPAC name is 5,7-dibromoquinolin-8-ol.

Molecular Properties

• Compound Name: Broxyquinoline
• PubChem CID: 2453
• Molecular Formula: C₉H₅Br₂NO
• Molecular Weight: 302.95 g/mol
• Exact Mass: 300.87
• IUPAC Name: 5,7-dibromoquinolin-8-ol
• SMILES: Oc1c(Br)cc(Br)c2cccnc12
• InChI: InChI=1S/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
• InChIKey: ZDASUJMDVPTNTF-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 33.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.95
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Broxyquinoline?

The IUPAC name of Broxyquinoline (CID 2453) is 5,7-dibromoquinolin-8-ol.

What is the SMILES notation for Broxyquinoline?

The canonical SMILES for Broxyquinoline is Oc1c(Br)cc(Br)c2cccnc12.

What is the InChIKey of Broxyquinoline?

The InChIKey is ZDASUJMDVPTNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H.

What are the key properties of Broxyquinoline?

Broxyquinoline has a molecular weight of 302.95 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Broxyquinoline is sourced from PubChem (CID 2453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2453 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 412 — approved-drug record (CC BY-SA 4.0)

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