5-(bromomethyl)-7-fluoro-2,3-dimethoxyquinoxaline

C11H10BrFN2O2 — CID 23298034

IUPAC5-(bromomethyl)-7-fluoro-2,3-dimethoxyquinoxaline
SMILESCOc1nc2cc(F)cc(CBr)c2nc1OC
InChIInChI=1S/C11H10BrFN2O2/c1-16-10-11(17-2)15-9-6(5-12)3-7(13)4-8(9)14-10/h3-4H,5H2,1-2H3
InChIKeyIMPMNLFMEPKUHP-UHFFFAOYSA-N
MW301.12 g/mol
LogP2.68
Rot. Bonds3

About 5-(bromomethyl)-7-fluoro-2,3-dimethoxyquinoxaline

5-(bromomethyl)-7-fluoro-2,3-dimethoxyquinoxaline (PubChem CID 23298034) has the molecular formula C11H10BrFN2O2 and a molecular weight of 301.12 g/mol. Its IUPAC name is 5-(bromomethyl)-7-fluoro-2,3-dimethoxyquinoxaline.

Molecular Properties

Compound Name5-(bromomethyl)-7-fluoro-2,3-dimethoxyquinoxaline
PubChem CID23298034
Molecular FormulaC11H10BrFN2O2
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name5-(bromomethyl)-7-fluoro-2,3-dimethoxyquinoxaline
SMILESCOc1nc2cc(F)cc(CBr)c2nc1OC
InChIInChI=1S/C11H10BrFN2O2/c1-16-10-11(17-2)15-9-6(5-12)3-7(13)4-8(9)14-10/h3-4H,5H2,1-2H3
InChIKeyIMPMNLFMEPKUHP-UHFFFAOYSA-N
XLogP2.68
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-7-fluoro-2,3-dimethoxyquinoxaline?
The IUPAC name of 5-(bromomethyl)-7-fluoro-2,3-dimethoxyquinoxaline (CID 23298034) is 5-(bromomethyl)-7-fluoro-2,3-dimethoxyquinoxaline.
What is the SMILES notation for 5-(bromomethyl)-7-fluoro-2,3-dimethoxyquinoxaline?
The canonical SMILES for 5-(bromomethyl)-7-fluoro-2,3-dimethoxyquinoxaline is COc1nc2cc(F)cc(CBr)c2nc1OC.
What is the InChIKey of 5-(bromomethyl)-7-fluoro-2,3-dimethoxyquinoxaline?
The InChIKey is IMPMNLFMEPKUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O2/c1-16-10-11(17-2)15-9-6(5-12)3-7(13)4-8(9)14-10/h3-4H,5H2,1-2H3.
What are the key properties of 5-(bromomethyl)-7-fluoro-2,3-dimethoxyquinoxaline?
5-(bromomethyl)-7-fluoro-2,3-dimethoxyquinoxaline has a molecular weight of 301.12 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-7-fluoro-2,3-dimethoxyquinoxaline is sourced from PubChem (CID 23298034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).