2-chloro-7-nitroquinoxaline

C8H4ClN3O2 — CID 4054780

IUPAC2-chloro-7-nitroquinoxaline
SMILESO=[N+]([O-])c1ccc2ncc(Cl)nc2c1
InChIInChI=1S/C8H4ClN3O2/c9-8-4-10-6-2-1-5(12(13)14)3-7(6)11-8/h1-4H
InChIKeyDCWHGXURAAYUEC-UHFFFAOYSA-N
MW209.59 g/mol
LogP2.19
Rot. Bonds1

About 2-chloro-7-nitroquinoxaline

2-chloro-7-nitroquinoxaline (PubChem CID 4054780) has the molecular formula C8H4ClN3O2 and a molecular weight of 209.59 g/mol. Its IUPAC name is 2-chloro-7-nitroquinoxaline.

Molecular Properties

Compound Name2-chloro-7-nitroquinoxaline
PubChem CID4054780
Molecular FormulaC8H4ClN3O2
Molecular Weight209.59 g/mol
Exact Mass209.00
IUPAC Name2-chloro-7-nitroquinoxaline
SMILESO=[N+]([O-])c1ccc2ncc(Cl)nc2c1
InChIInChI=1S/C8H4ClN3O2/c9-8-4-10-6-2-1-5(12(13)14)3-7(6)11-8/h1-4H
InChIKeyDCWHGXURAAYUEC-UHFFFAOYSA-N
XLogP2.19
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.59
LogP ≤ 52.19
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 2-chloro-7-nitroquinoxaline?
The IUPAC name of 2-chloro-7-nitroquinoxaline (CID 4054780) is 2-chloro-7-nitroquinoxaline.
What is the SMILES notation for 2-chloro-7-nitroquinoxaline?
The canonical SMILES for 2-chloro-7-nitroquinoxaline is O=[N+]([O-])c1ccc2ncc(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-nitroquinoxaline?
The InChIKey is DCWHGXURAAYUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3O2/c9-8-4-10-6-2-1-5(12(13)14)3-7(6)11-8/h1-4H.
What are the key properties of 2-chloro-7-nitroquinoxaline?
2-chloro-7-nitroquinoxaline has a molecular weight of 209.59 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-nitroquinoxaline is sourced from PubChem (CID 4054780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).