7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

C7H4BrN3O2 — CID 727370

IUPAC7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc(Br)cnc2[nH]c1=O
InChIInChI=1S/C7H4BrN3O2/c8-3-1-4-5(9-2-3)11-7(13)6(12)10-4/h1-2H,(H,10,12)(H,9,11,13)
InChIKeySMQUNTGAPNGDHP-UHFFFAOYSA-N
MW242.03 g/mol
LogP0.37
Rot. Bonds

About 7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 727370) has the molecular formula C7H4BrN3O2 and a molecular weight of 242.03 g/mol. Its IUPAC name is 7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
PubChem CID727370
Molecular FormulaC7H4BrN3O2
Molecular Weight242.03 g/mol
Exact Mass240.95
IUPAC Name7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cc(Br)cnc2[nH]c1=O
InChIInChI=1S/C7H4BrN3O2/c8-3-1-4-5(9-2-3)11-7(13)6(12)10-4/h1-2H,(H,10,12)(H,9,11,13)
InChIKeySMQUNTGAPNGDHP-UHFFFAOYSA-N
XLogP0.37
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (CID 727370) is 7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2cc(Br)cnc2[nH]c1=O.
What is the InChIKey of 7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is SMQUNTGAPNGDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2/c8-3-1-4-5(9-2-3)11-7(13)6(12)10-4/h1-2H,(H,10,12)(H,9,11,13).
What are the key properties of 7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 242.03 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 727370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).