8-bromo-7-fluoro-2-methoxyquinoxaline

C9H6BrFN2O — CID 68606312

IUPAC8-bromo-7-fluoro-2-methoxyquinoxaline
SMILESCOc1cnc2ccc(F)c(Br)c2n1
InChIInChI=1S/C9H6BrFN2O/c1-14-7-4-12-6-3-2-5(11)8(10)9(6)13-7/h2-4H,1H3
InChIKeyKPJGGRJTALMNRE-UHFFFAOYSA-N
MW257.06 g/mol
LogP2.54
Rot. Bonds1

About 8-bromo-7-fluoro-2-methoxyquinoxaline

8-bromo-7-fluoro-2-methoxyquinoxaline (PubChem CID 68606312) has the molecular formula C9H6BrFN2O and a molecular weight of 257.06 g/mol. Its IUPAC name is 8-bromo-7-fluoro-2-methoxyquinoxaline.

Molecular Properties

Compound Name8-bromo-7-fluoro-2-methoxyquinoxaline
PubChem CID68606312
Molecular FormulaC9H6BrFN2O
Molecular Weight257.06 g/mol
Exact Mass255.96
IUPAC Name8-bromo-7-fluoro-2-methoxyquinoxaline
SMILESCOc1cnc2ccc(F)c(Br)c2n1
InChIInChI=1S/C9H6BrFN2O/c1-14-7-4-12-6-3-2-5(11)8(10)9(6)13-7/h2-4H,1H3
InChIKeyKPJGGRJTALMNRE-UHFFFAOYSA-N
XLogP2.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-2-methoxyquinoxaline?
The IUPAC name of 8-bromo-7-fluoro-2-methoxyquinoxaline (CID 68606312) is 8-bromo-7-fluoro-2-methoxyquinoxaline.
What is the SMILES notation for 8-bromo-7-fluoro-2-methoxyquinoxaline?
The canonical SMILES for 8-bromo-7-fluoro-2-methoxyquinoxaline is COc1cnc2ccc(F)c(Br)c2n1.
What is the InChIKey of 8-bromo-7-fluoro-2-methoxyquinoxaline?
The InChIKey is KPJGGRJTALMNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O/c1-14-7-4-12-6-3-2-5(11)8(10)9(6)13-7/h2-4H,1H3.
What are the key properties of 8-bromo-7-fluoro-2-methoxyquinoxaline?
8-bromo-7-fluoro-2-methoxyquinoxaline has a molecular weight of 257.06 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-2-methoxyquinoxaline is sourced from PubChem (CID 68606312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).