2,3-dichloro-6-nitroquinoxaline

C8H3Cl2N3O2 — CID 689090

IUPAC2,3-dichloro-6-nitroquinoxaline
SMILESO=[N+]([O-])c1ccc2nc(Cl)c(Cl)nc2c1
InChIInChI=1S/C8H3Cl2N3O2/c9-7-8(10)12-6-3-4(13(14)15)1-2-5(6)11-7/h1-3H
InChIKeySFJCUOAQTGDBPO-UHFFFAOYSA-N
MW244.04 g/mol
LogP2.84
Rot. Bonds1

About 2,3-dichloro-6-nitroquinoxaline

2,3-dichloro-6-nitroquinoxaline (PubChem CID 689090) has the molecular formula C8H3Cl2N3O2 and a molecular weight of 244.04 g/mol. Its IUPAC name is 2,3-dichloro-6-nitroquinoxaline.

Molecular Properties

Compound Name2,3-dichloro-6-nitroquinoxaline
PubChem CID689090
Molecular FormulaC8H3Cl2N3O2
Molecular Weight244.04 g/mol
Exact Mass242.96
IUPAC Name2,3-dichloro-6-nitroquinoxaline
SMILESO=[N+]([O-])c1ccc2nc(Cl)c(Cl)nc2c1
InChIInChI=1S/C8H3Cl2N3O2/c9-7-8(10)12-6-3-4(13(14)15)1-2-5(6)11-7/h1-3H
InChIKeySFJCUOAQTGDBPO-UHFFFAOYSA-N
XLogP2.84
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 52.84
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'}

Analyze 2,3-dichloro-6-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 2,3-dichloro-6-nitroquinoxaline?
The IUPAC name of 2,3-dichloro-6-nitroquinoxaline (CID 689090) is 2,3-dichloro-6-nitroquinoxaline.
What is the SMILES notation for 2,3-dichloro-6-nitroquinoxaline?
The canonical SMILES for 2,3-dichloro-6-nitroquinoxaline is O=[N+]([O-])c1ccc2nc(Cl)c(Cl)nc2c1.
What is the InChIKey of 2,3-dichloro-6-nitroquinoxaline?
The InChIKey is SFJCUOAQTGDBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2N3O2/c9-7-8(10)12-6-3-4(13(14)15)1-2-5(6)11-7/h1-3H.
What are the key properties of 2,3-dichloro-6-nitroquinoxaline?
2,3-dichloro-6-nitroquinoxaline has a molecular weight of 244.04 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6-nitroquinoxaline is sourced from PubChem (CID 689090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).