5,6-dichloroquinoxaline-2,3-dicarboxylic acid

C10H4Cl2N2O4 — CID 14423641

IUPAC5,6-dichloroquinoxaline-2,3-dicarboxylic acid
SMILESO=C(O)c1nc2ccc(Cl)c(Cl)c2nc1C(=O)O
InChIInChI=1S/C10H4Cl2N2O4/c11-3-1-2-4-6(5(3)12)14-8(10(17)18)7(13-4)9(15)16/h1-2H,(H,15,16)(H,17,18)
InChIKeyNKIRSRQGNAASAT-UHFFFAOYSA-N
MW287.06 g/mol
LogP2.33
Rot. Bonds2

About 5,6-dichloroquinoxaline-2,3-dicarboxylic acid

5,6-dichloroquinoxaline-2,3-dicarboxylic acid (PubChem CID 14423641) has the molecular formula C10H4Cl2N2O4 and a molecular weight of 287.06 g/mol. Its IUPAC name is 5,6-dichloroquinoxaline-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5,6-dichloroquinoxaline-2,3-dicarboxylic acid
PubChem CID14423641
Molecular FormulaC10H4Cl2N2O4
Molecular Weight287.06 g/mol
Exact Mass285.95
IUPAC Name5,6-dichloroquinoxaline-2,3-dicarboxylic acid
SMILESO=C(O)c1nc2ccc(Cl)c(Cl)c2nc1C(=O)O
InChIInChI=1S/C10H4Cl2N2O4/c11-3-1-2-4-6(5(3)12)14-8(10(17)18)7(13-4)9(15)16/h1-2H,(H,15,16)(H,17,18)
InChIKeyNKIRSRQGNAASAT-UHFFFAOYSA-N
XLogP2.33
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.06
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloroquinoxaline-2,3-dicarboxylic acid?
The IUPAC name of 5,6-dichloroquinoxaline-2,3-dicarboxylic acid (CID 14423641) is 5,6-dichloroquinoxaline-2,3-dicarboxylic acid.
What is the SMILES notation for 5,6-dichloroquinoxaline-2,3-dicarboxylic acid?
The canonical SMILES for 5,6-dichloroquinoxaline-2,3-dicarboxylic acid is O=C(O)c1nc2ccc(Cl)c(Cl)c2nc1C(=O)O.
What is the InChIKey of 5,6-dichloroquinoxaline-2,3-dicarboxylic acid?
The InChIKey is NKIRSRQGNAASAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2N2O4/c11-3-1-2-4-6(5(3)12)14-8(10(17)18)7(13-4)9(15)16/h1-2H,(H,15,16)(H,17,18).
What are the key properties of 5,6-dichloroquinoxaline-2,3-dicarboxylic acid?
5,6-dichloroquinoxaline-2,3-dicarboxylic acid has a molecular weight of 287.06 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloroquinoxaline-2,3-dicarboxylic acid is sourced from PubChem (CID 14423641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).