5,7-dichloroquinoxaline-2,3-dione

C8H2Cl2N2O2 — CID 54077128

IUPAC5,7-dichloroquinoxaline-2,3-dione
SMILESO=C1N=c2cc(Cl)cc(Cl)c2=NC1=O
InChIInChI=1S/C8H2Cl2N2O2/c9-3-1-4(10)6-5(2-3)11-7(13)8(14)12-6/h1-2H
InChIKeyMKMKXBHSNQTNLQ-UHFFFAOYSA-N
MW229.02 g/mol
LogP0.30
Rot. Bonds

About 5,7-dichloroquinoxaline-2,3-dione

5,7-dichloroquinoxaline-2,3-dione (PubChem CID 54077128) has the molecular formula C8H2Cl2N2O2 and a molecular weight of 229.02 g/mol. Its IUPAC name is 5,7-dichloroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5,7-dichloroquinoxaline-2,3-dione
PubChem CID54077128
Molecular FormulaC8H2Cl2N2O2
Molecular Weight229.02 g/mol
Exact Mass227.95
IUPAC Name5,7-dichloroquinoxaline-2,3-dione
SMILESO=C1N=c2cc(Cl)cc(Cl)c2=NC1=O
InChIInChI=1S/C8H2Cl2N2O2/c9-3-1-4(10)6-5(2-3)11-7(13)8(14)12-6/h1-2H
InChIKeyMKMKXBHSNQTNLQ-UHFFFAOYSA-N
XLogP0.30
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.02
LogP ≤ 50.30
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 5,7-dichloroquinoxaline-2,3-dione?
The IUPAC name of 5,7-dichloroquinoxaline-2,3-dione (CID 54077128) is 5,7-dichloroquinoxaline-2,3-dione.
What is the SMILES notation for 5,7-dichloroquinoxaline-2,3-dione?
The canonical SMILES for 5,7-dichloroquinoxaline-2,3-dione is O=C1N=c2cc(Cl)cc(Cl)c2=NC1=O.
What is the InChIKey of 5,7-dichloroquinoxaline-2,3-dione?
The InChIKey is MKMKXBHSNQTNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2N2O2/c9-3-1-4(10)6-5(2-3)11-7(13)8(14)12-6/h1-2H.
What are the key properties of 5,7-dichloroquinoxaline-2,3-dione?
5,7-dichloroquinoxaline-2,3-dione has a molecular weight of 229.02 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloroquinoxaline-2,3-dione is sourced from PubChem (CID 54077128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).