6-chloroquinoxaline-2,3-dione

C8H3ClN2O2 — CID 70258835

IUPAC6-chloroquinoxaline-2,3-dione
SMILESO=C1N=c2ccc(Cl)cc2=NC1=O
InChIInChI=1S/C8H3ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H
InChIKeyBZUBRIPWJXHWEH-UHFFFAOYSA-N
MW194.58 g/mol
LogP-0.35
Rot. Bonds

About 6-chloroquinoxaline-2,3-dione

6-chloroquinoxaline-2,3-dione (PubChem CID 70258835) has the molecular formula C8H3ClN2O2 and a molecular weight of 194.58 g/mol. Its IUPAC name is 6-chloroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-chloroquinoxaline-2,3-dione
PubChem CID70258835
Molecular FormulaC8H3ClN2O2
Molecular Weight194.58 g/mol
Exact Mass193.99
IUPAC Name6-chloroquinoxaline-2,3-dione
SMILESO=C1N=c2ccc(Cl)cc2=NC1=O
InChIInChI=1S/C8H3ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H
InChIKeyBZUBRIPWJXHWEH-UHFFFAOYSA-N
XLogP-0.35
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.58
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloroquinoxaline-2,3-dione?
The IUPAC name of 6-chloroquinoxaline-2,3-dione (CID 70258835) is 6-chloroquinoxaline-2,3-dione.
What is the SMILES notation for 6-chloroquinoxaline-2,3-dione?
The canonical SMILES for 6-chloroquinoxaline-2,3-dione is O=C1N=c2ccc(Cl)cc2=NC1=O.
What is the InChIKey of 6-chloroquinoxaline-2,3-dione?
The InChIKey is BZUBRIPWJXHWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClN2O2/c9-4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H.
What are the key properties of 6-chloroquinoxaline-2,3-dione?
6-chloroquinoxaline-2,3-dione has a molecular weight of 194.58 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloroquinoxaline-2,3-dione is sourced from PubChem (CID 70258835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).