8-bromo-7-fluoro-3-methyl-3H-quinoxalin-2-one

C9H6BrFN2O — CID 123344481

IUPAC8-bromo-7-fluoro-3-methyl-3H-quinoxalin-2-one
SMILESCC1N=c2ccc(F)c(Br)c2=NC1=O
InChIInChI=1S/C9H6BrFN2O/c1-4-9(14)13-8-6(12-4)3-2-5(11)7(8)10/h2-4H,1H3
InChIKeySXDVWSFWSYOLDJ-UHFFFAOYSA-N
MW257.06 g/mol
LogP0.76
Rot. Bonds

About 8-bromo-7-fluoro-3-methyl-3H-quinoxalin-2-one

8-bromo-7-fluoro-3-methyl-3H-quinoxalin-2-one (PubChem CID 123344481) has the molecular formula C9H6BrFN2O and a molecular weight of 257.06 g/mol. Its IUPAC name is 8-bromo-7-fluoro-3-methyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name8-bromo-7-fluoro-3-methyl-3H-quinoxalin-2-one
PubChem CID123344481
Molecular FormulaC9H6BrFN2O
Molecular Weight257.06 g/mol
Exact Mass255.96
IUPAC Name8-bromo-7-fluoro-3-methyl-3H-quinoxalin-2-one
SMILESCC1N=c2ccc(F)c(Br)c2=NC1=O
InChIInChI=1S/C9H6BrFN2O/c1-4-9(14)13-8-6(12-4)3-2-5(11)7(8)10/h2-4H,1H3
InChIKeySXDVWSFWSYOLDJ-UHFFFAOYSA-N
XLogP0.76
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-3-methyl-3H-quinoxalin-2-one?
The IUPAC name of 8-bromo-7-fluoro-3-methyl-3H-quinoxalin-2-one (CID 123344481) is 8-bromo-7-fluoro-3-methyl-3H-quinoxalin-2-one.
What is the SMILES notation for 8-bromo-7-fluoro-3-methyl-3H-quinoxalin-2-one?
The canonical SMILES for 8-bromo-7-fluoro-3-methyl-3H-quinoxalin-2-one is CC1N=c2ccc(F)c(Br)c2=NC1=O.
What is the InChIKey of 8-bromo-7-fluoro-3-methyl-3H-quinoxalin-2-one?
The InChIKey is SXDVWSFWSYOLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O/c1-4-9(14)13-8-6(12-4)3-2-5(11)7(8)10/h2-4H,1H3.
What are the key properties of 8-bromo-7-fluoro-3-methyl-3H-quinoxalin-2-one?
8-bromo-7-fluoro-3-methyl-3H-quinoxalin-2-one has a molecular weight of 257.06 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-3-methyl-3H-quinoxalin-2-one is sourced from PubChem (CID 123344481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).