6-fluoro-2,3-dimethoxy-7-nitroquinoxaline

C10H8FN3O4 — CID 18629200

IUPAC6-fluoro-2,3-dimethoxy-7-nitroquinoxaline
SMILESCOc1nc2cc(F)c([N+](=O)[O-])cc2nc1OC
InChIInChI=1S/C10H8FN3O4/c1-17-9-10(18-2)13-7-4-8(14(15)16)5(11)3-6(7)12-9/h3-4H,1-2H3
InChIKeyXGIRUBCFYHAOIC-UHFFFAOYSA-N
MW253.19 g/mol
LogP1.69
Rot. Bonds3

About 6-fluoro-2,3-dimethoxy-7-nitroquinoxaline

6-fluoro-2,3-dimethoxy-7-nitroquinoxaline (PubChem CID 18629200) has the molecular formula C10H8FN3O4 and a molecular weight of 253.19 g/mol. Its IUPAC name is 6-fluoro-2,3-dimethoxy-7-nitroquinoxaline.

Molecular Properties

Compound Name6-fluoro-2,3-dimethoxy-7-nitroquinoxaline
PubChem CID18629200
Molecular FormulaC10H8FN3O4
Molecular Weight253.19 g/mol
Exact Mass253.05
IUPAC Name6-fluoro-2,3-dimethoxy-7-nitroquinoxaline
SMILESCOc1nc2cc(F)c([N+](=O)[O-])cc2nc1OC
InChIInChI=1S/C10H8FN3O4/c1-17-9-10(18-2)13-7-4-8(14(15)16)5(11)3-6(7)12-9/h3-4H,1-2H3
InChIKeyXGIRUBCFYHAOIC-UHFFFAOYSA-N
XLogP1.69
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-fluoro-2,3-dimethoxy-7-nitroquinoxaline 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 6-fluoro-2,3-dimethoxy-7-nitroquinoxaline?
The IUPAC name of 6-fluoro-2,3-dimethoxy-7-nitroquinoxaline (CID 18629200) is 6-fluoro-2,3-dimethoxy-7-nitroquinoxaline.
What is the SMILES notation for 6-fluoro-2,3-dimethoxy-7-nitroquinoxaline?
The canonical SMILES for 6-fluoro-2,3-dimethoxy-7-nitroquinoxaline is COc1nc2cc(F)c([N+](=O)[O-])cc2nc1OC.
What is the InChIKey of 6-fluoro-2,3-dimethoxy-7-nitroquinoxaline?
The InChIKey is XGIRUBCFYHAOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O4/c1-17-9-10(18-2)13-7-4-8(14(15)16)5(11)3-6(7)12-9/h3-4H,1-2H3.
What are the key properties of 6-fluoro-2,3-dimethoxy-7-nitroquinoxaline?
6-fluoro-2,3-dimethoxy-7-nitroquinoxaline has a molecular weight of 253.19 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-dimethoxy-7-nitroquinoxaline is sourced from PubChem (CID 18629200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).