2,3-dideuterioquinoxaline-6-carbaldehyde

C9H6N2O — CID 153470634

IUPAC2,3-dideuterioquinoxaline-6-carbaldehyde
SMILES[2H]c1nc2ccc(C=O)cc2nc1[2H]
InChIInChI=1S/C9H6N2O/c12-6-7-1-2-8-9(5-7)11-4-3-10-8/h1-6H/i3D,4D
InChIKeyUGOIXUFOAODGNI-NMQOAUCRSA-N
MW160.17 g/mol
LogP1.44
Rot. Bonds1

About 2,3-dideuterioquinoxaline-6-carbaldehyde

2,3-dideuterioquinoxaline-6-carbaldehyde (PubChem CID 153470634) has the molecular formula C9H6N2O and a molecular weight of 160.17 g/mol. Its IUPAC name is 2,3-dideuterioquinoxaline-6-carbaldehyde.

Molecular Properties

Compound Name2,3-dideuterioquinoxaline-6-carbaldehyde
PubChem CID153470634
Molecular FormulaC9H6N2O
Molecular Weight160.17 g/mol
Exact Mass160.06
IUPAC Name2,3-dideuterioquinoxaline-6-carbaldehyde
SMILES[2H]c1nc2ccc(C=O)cc2nc1[2H]
InChIInChI=1S/C9H6N2O/c12-6-7-1-2-8-9(5-7)11-4-3-10-8/h1-6H/i3D,4D
InChIKeyUGOIXUFOAODGNI-NMQOAUCRSA-N
XLogP1.44
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dideuterioquinoxaline-6-carbaldehyde?
The IUPAC name of 2,3-dideuterioquinoxaline-6-carbaldehyde (CID 153470634) is 2,3-dideuterioquinoxaline-6-carbaldehyde.
What is the SMILES notation for 2,3-dideuterioquinoxaline-6-carbaldehyde?
The canonical SMILES for 2,3-dideuterioquinoxaline-6-carbaldehyde is [2H]c1nc2ccc(C=O)cc2nc1[2H].
What is the InChIKey of 2,3-dideuterioquinoxaline-6-carbaldehyde?
The InChIKey is UGOIXUFOAODGNI-NMQOAUCRSA-N. The full InChI is InChI=1S/C9H6N2O/c12-6-7-1-2-8-9(5-7)11-4-3-10-8/h1-6H/i3D,4D.
What are the key properties of 2,3-dideuterioquinoxaline-6-carbaldehyde?
2,3-dideuterioquinoxaline-6-carbaldehyde has a molecular weight of 160.17 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dideuterioquinoxaline-6-carbaldehyde is sourced from PubChem (CID 153470634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).