7-bromo-3H-quinoxalin-2-one

C₈H₅BrN₂O — CID 71773260

About 7-bromo-3H-quinoxalin-2-one

7-bromo-3H-quinoxalin-2-one (PubChem CID 71773260) has the molecular formula C₈H₅BrN₂O and a molecular weight of 225.04 g/mol. Its IUPAC name is 7-bromo-3H-quinoxalin-2-one.

Molecular Properties

• Compound Name: 7-bromo-3H-quinoxalin-2-one
• PubChem CID: 71773260
• Molecular Formula: C₈H₅BrN₂O
• Molecular Weight: 225.04 g/mol
• Exact Mass: 223.96
• IUPAC Name: 7-bromo-3H-quinoxalin-2-one
• SMILES: O=C1CN=c2ccc(Br)cc2=N1
• InChI: InChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3H,4H2
• InChIKey: FQICMKCYKXNGEE-UHFFFAOYSA-N
• XLogP: 0.23
• TPSA: 41.79 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.04
LogP ≤ 5	0.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3H-quinoxalin-2-one?

The IUPAC name of 7-bromo-3H-quinoxalin-2-one (CID 71773260) is 7-bromo-3H-quinoxalin-2-one.

What is the SMILES notation for 7-bromo-3H-quinoxalin-2-one?

The canonical SMILES for 7-bromo-3H-quinoxalin-2-one is O=C1CN=c2ccc(Br)cc2=N1.

What is the InChIKey of 7-bromo-3H-quinoxalin-2-one?

The InChIKey is FQICMKCYKXNGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3H,4H2.

What are the key properties of 7-bromo-3H-quinoxalin-2-one?

7-bromo-3H-quinoxalin-2-one has a molecular weight of 225.04 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-3H-quinoxalin-2-one is sourced from PubChem (CID 71773260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71773260 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.