5,8-dibromopyrido[3,4-b]pyrazine

C₇H₃Br₂N₃ — CID 102025171

About 5,8-dibromopyrido[3,4-b]pyrazine

5,8-dibromopyrido[3,4-b]pyrazine (PubChem CID 102025171) has the molecular formula C₇H₃Br₂N₃ and a molecular weight of 288.93 g/mol. Its IUPAC name is 5,8-dibromopyrido[3,4-b]pyrazine.

Molecular Properties

• Compound Name: 5,8-dibromopyrido[3,4-b]pyrazine
• PubChem CID: 102025171
• Molecular Formula: C₇H₃Br₂N₃
• Molecular Weight: 288.93 g/mol
• Exact Mass: 286.87
• IUPAC Name: 5,8-dibromopyrido[3,4-b]pyrazine
• SMILES: Brc1cnc(Br)c2nccnc12
• InChI: InChI=1S/C7H3Br2N3/c8-4-3-12-7(9)6-5(4)10-1-2-11-6/h1-3H
• InChIKey: WDIQZKROTCIZTP-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.93
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,8-dibromopyrido[3,4-b]pyrazine?

The IUPAC name of 5,8-dibromopyrido[3,4-b]pyrazine (CID 102025171) is 5,8-dibromopyrido[3,4-b]pyrazine.

What is the SMILES notation for 5,8-dibromopyrido[3,4-b]pyrazine?

The canonical SMILES for 5,8-dibromopyrido[3,4-b]pyrazine is Brc1cnc(Br)c2nccnc12.

What is the InChIKey of 5,8-dibromopyrido[3,4-b]pyrazine?

The InChIKey is WDIQZKROTCIZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2N3/c8-4-3-12-7(9)6-5(4)10-1-2-11-6/h1-3H.

What are the key properties of 5,8-dibromopyrido[3,4-b]pyrazine?

5,8-dibromopyrido[3,4-b]pyrazine has a molecular weight of 288.93 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5,8-dibromopyrido[3,4-b]pyrazine is sourced from PubChem (CID 102025171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102025171 — identifiers, structure, computed properties (public domain)

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