7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one

C9H5BrF2N2O — CID 169110681

IUPAC7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one
SMILESCc1nc2cc(F)c(Br)c(F)c2[nH]c1=O
InChIInChI=1S/C9H5BrF2N2O/c1-3-9(15)14-8-5(13-3)2-4(11)6(10)7(8)12/h2H,1H3,(H,14,15)
InChIKeyTXZDTSWURAECFE-UHFFFAOYSA-N
MW275.05 g/mol
LogP2.27
Rot. Bonds

About 7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one

7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one (PubChem CID 169110681) has the molecular formula C9H5BrF2N2O and a molecular weight of 275.05 g/mol. Its IUPAC name is 7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one
PubChem CID169110681
Molecular FormulaC9H5BrF2N2O
Molecular Weight275.05 g/mol
Exact Mass273.96
IUPAC Name7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one
SMILESCc1nc2cc(F)c(Br)c(F)c2[nH]c1=O
InChIInChI=1S/C9H5BrF2N2O/c1-3-9(15)14-8-5(13-3)2-4(11)6(10)7(8)12/h2H,1H3,(H,14,15)
InChIKeyTXZDTSWURAECFE-UHFFFAOYSA-N
XLogP2.27
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.05
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one 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-6,8-difluoro-3-methyl-1H-quinoxalin-2-one?
The IUPAC name of 7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one (CID 169110681) is 7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one.
What is the SMILES notation for 7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one?
The canonical SMILES for 7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one is Cc1nc2cc(F)c(Br)c(F)c2[nH]c1=O.
What is the InChIKey of 7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one?
The InChIKey is TXZDTSWURAECFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2N2O/c1-3-9(15)14-8-5(13-3)2-4(11)6(10)7(8)12/h2H,1H3,(H,14,15).
What are the key properties of 7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one?
7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one has a molecular weight of 275.05 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one is sourced from PubChem (CID 169110681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).