6-bromo-8-fluoro-4-methyl-1H-quinoxaline-2,3-dione

C9H6BrFN2O2 — CID 142494296

IUPAC6-bromo-8-fluoro-4-methyl-1H-quinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)[nH]c2c(F)cc(Br)cc21
InChIInChI=1S/C9H6BrFN2O2/c1-13-6-3-4(10)2-5(11)7(6)12-8(14)9(13)15/h2-3H,1H3,(H,12,14)
InChIKeyYFWMAMWFRIGXSN-UHFFFAOYSA-N
MW273.06 g/mol
LogP1.13
Rot. Bonds

About 6-bromo-8-fluoro-4-methyl-1H-quinoxaline-2,3-dione

6-bromo-8-fluoro-4-methyl-1H-quinoxaline-2,3-dione (PubChem CID 142494296) has the molecular formula C9H6BrFN2O2 and a molecular weight of 273.06 g/mol. Its IUPAC name is 6-bromo-8-fluoro-4-methyl-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name6-bromo-8-fluoro-4-methyl-1H-quinoxaline-2,3-dione
PubChem CID142494296
Molecular FormulaC9H6BrFN2O2
Molecular Weight273.06 g/mol
Exact Mass271.96
IUPAC Name6-bromo-8-fluoro-4-methyl-1H-quinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)[nH]c2c(F)cc(Br)cc21
InChIInChI=1S/C9H6BrFN2O2/c1-13-6-3-4(10)2-5(11)7(6)12-8(14)9(13)15/h2-3H,1H3,(H,12,14)
InChIKeyYFWMAMWFRIGXSN-UHFFFAOYSA-N
XLogP1.13
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.06
LogP ≤ 51.13
H-Bond Donors ≤ 51
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 6-bromo-8-fluoro-4-methyl-1H-quinoxaline-2,3-dione?
The IUPAC name of 6-bromo-8-fluoro-4-methyl-1H-quinoxaline-2,3-dione (CID 142494296) is 6-bromo-8-fluoro-4-methyl-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 6-bromo-8-fluoro-4-methyl-1H-quinoxaline-2,3-dione?
The canonical SMILES for 6-bromo-8-fluoro-4-methyl-1H-quinoxaline-2,3-dione is Cn1c(=O)c(=O)[nH]c2c(F)cc(Br)cc21.
What is the InChIKey of 6-bromo-8-fluoro-4-methyl-1H-quinoxaline-2,3-dione?
The InChIKey is YFWMAMWFRIGXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O2/c1-13-6-3-4(10)2-5(11)7(6)12-8(14)9(13)15/h2-3H,1H3,(H,12,14).
What are the key properties of 6-bromo-8-fluoro-4-methyl-1H-quinoxaline-2,3-dione?
6-bromo-8-fluoro-4-methyl-1H-quinoxaline-2,3-dione has a molecular weight of 273.06 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-4-methyl-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 142494296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).