5-fluoro-6-nitroquinoxaline

C8H4FN3O2 — CID 164822939

IUPAC5-fluoro-6-nitroquinoxaline
SMILESO=[N+]([O-])c1ccc2nccnc2c1F
InChIInChI=1S/C8H4FN3O2/c9-7-6(12(13)14)2-1-5-8(7)11-4-3-10-5/h1-4H
InChIKeyGSJAKDVNCLSEAT-UHFFFAOYSA-N
MW193.14 g/mol
LogP1.68
Rot. Bonds1

About 5-fluoro-6-nitroquinoxaline

5-fluoro-6-nitroquinoxaline (PubChem CID 164822939) has the molecular formula C8H4FN3O2 and a molecular weight of 193.14 g/mol. Its IUPAC name is 5-fluoro-6-nitroquinoxaline.

Molecular Properties

Compound Name5-fluoro-6-nitroquinoxaline
PubChem CID164822939
Molecular FormulaC8H4FN3O2
Molecular Weight193.14 g/mol
Exact Mass193.03
IUPAC Name5-fluoro-6-nitroquinoxaline
SMILESO=[N+]([O-])c1ccc2nccnc2c1F
InChIInChI=1S/C8H4FN3O2/c9-7-6(12(13)14)2-1-5-8(7)11-4-3-10-5/h1-4H
InChIKeyGSJAKDVNCLSEAT-UHFFFAOYSA-N
XLogP1.68
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-nitroquinoxaline?
The IUPAC name of 5-fluoro-6-nitroquinoxaline (CID 164822939) is 5-fluoro-6-nitroquinoxaline.
What is the SMILES notation for 5-fluoro-6-nitroquinoxaline?
The canonical SMILES for 5-fluoro-6-nitroquinoxaline is O=[N+]([O-])c1ccc2nccnc2c1F.
What is the InChIKey of 5-fluoro-6-nitroquinoxaline?
The InChIKey is GSJAKDVNCLSEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FN3O2/c9-7-6(12(13)14)2-1-5-8(7)11-4-3-10-5/h1-4H.
What are the key properties of 5-fluoro-6-nitroquinoxaline?
5-fluoro-6-nitroquinoxaline has a molecular weight of 193.14 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-nitroquinoxaline is sourced from PubChem (CID 164822939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).