7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

C8H6BrN3O2 — CID 641965

IUPAC7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESCc1c(Br)cnc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C8H6BrN3O2/c1-3-4(9)2-10-6-5(3)11-7(13)8(14)12-6/h2H,1H3,(H,11,13)(H,10,12,14)
InChIKeyCUEPJLKZPWHSHG-UHFFFAOYSA-N
MW256.06 g/mol
LogP0.68
Rot. Bonds

About 7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 641965) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
PubChem CID641965
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESCc1c(Br)cnc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C8H6BrN3O2/c1-3-4(9)2-10-6-5(3)11-7(13)8(14)12-6/h2H,1H3,(H,11,13)(H,10,12,14)
InChIKeyCUEPJLKZPWHSHG-UHFFFAOYSA-N
XLogP0.68
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (CID 641965) is 7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is Cc1c(Br)cnc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of 7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is CUEPJLKZPWHSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c1-3-4(9)2-10-6-5(3)11-7(13)8(14)12-6/h2H,1H3,(H,11,13)(H,10,12,14).
What are the key properties of 7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 256.06 g/mol, XLogP of 0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 641965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).