2,3-dideuterioquinoxaline-6-carboxylic acid

C9H6N2O2 — CID 146455224

IUPAC2,3-dideuterioquinoxaline-6-carboxylic acid
SMILES[2H]c1nc2ccc(C(=O)O)cc2nc1[2H]
InChIInChI=1S/C9H6N2O2/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,(H,12,13)/i3D,4D
InChIKeyJGQDBVXRYDEWGM-NMQOAUCRSA-N
MW176.17 g/mol
LogP1.33
Rot. Bonds1

About 2,3-dideuterioquinoxaline-6-carboxylic acid

2,3-dideuterioquinoxaline-6-carboxylic acid (PubChem CID 146455224) has the molecular formula C9H6N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2,3-dideuterioquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2,3-dideuterioquinoxaline-6-carboxylic acid
PubChem CID146455224
Molecular FormulaC9H6N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2,3-dideuterioquinoxaline-6-carboxylic acid
SMILES[2H]c1nc2ccc(C(=O)O)cc2nc1[2H]
InChIInChI=1S/C9H6N2O2/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,(H,12,13)/i3D,4D
InChIKeyJGQDBVXRYDEWGM-NMQOAUCRSA-N
XLogP1.33
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dideuterioquinoxaline-6-carboxylic acid?
The IUPAC name of 2,3-dideuterioquinoxaline-6-carboxylic acid (CID 146455224) is 2,3-dideuterioquinoxaline-6-carboxylic acid.
What is the SMILES notation for 2,3-dideuterioquinoxaline-6-carboxylic acid?
The canonical SMILES for 2,3-dideuterioquinoxaline-6-carboxylic acid is [2H]c1nc2ccc(C(=O)O)cc2nc1[2H].
What is the InChIKey of 2,3-dideuterioquinoxaline-6-carboxylic acid?
The InChIKey is JGQDBVXRYDEWGM-NMQOAUCRSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,(H,12,13)/i3D,4D.
What are the key properties of 2,3-dideuterioquinoxaline-6-carboxylic acid?
2,3-dideuterioquinoxaline-6-carboxylic acid has a molecular weight of 176.17 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dideuterioquinoxaline-6-carboxylic acid is sourced from PubChem (CID 146455224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).