2,3-dioxopyridine-4-carbaldehyde

C6H3NO3 — CID 178188624

IUPAC2,3-dioxopyridine-4-carbaldehyde
SMILESO=CC1=CC=NC(=O)C1=O
InChIInChI=1S/C6H3NO3/c8-3-4-1-2-7-6(10)5(4)9/h1-3H
InChIKeyHDRKTHFFSSXXLD-UHFFFAOYSA-N
MW137.09 g/mol
LogP-0.71
Rot. Bonds1

About 2,3-dioxopyridine-4-carbaldehyde

2,3-dioxopyridine-4-carbaldehyde (PubChem CID 178188624) has the molecular formula C6H3NO3 and a molecular weight of 137.09 g/mol. Its IUPAC name is 2,3-dioxopyridine-4-carbaldehyde.

Molecular Properties

Compound Name2,3-dioxopyridine-4-carbaldehyde
PubChem CID178188624
Molecular FormulaC6H3NO3
Molecular Weight137.09 g/mol
Exact Mass137.01
IUPAC Name2,3-dioxopyridine-4-carbaldehyde
SMILESO=CC1=CC=NC(=O)C1=O
InChIInChI=1S/C6H3NO3/c8-3-4-1-2-7-6(10)5(4)9/h1-3H
InChIKeyHDRKTHFFSSXXLD-UHFFFAOYSA-N
XLogP-0.71
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.09
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dioxopyridine-4-carbaldehyde?
The IUPAC name of 2,3-dioxopyridine-4-carbaldehyde (CID 178188624) is 2,3-dioxopyridine-4-carbaldehyde.
What is the SMILES notation for 2,3-dioxopyridine-4-carbaldehyde?
The canonical SMILES for 2,3-dioxopyridine-4-carbaldehyde is O=CC1=CC=NC(=O)C1=O.
What is the InChIKey of 2,3-dioxopyridine-4-carbaldehyde?
The InChIKey is HDRKTHFFSSXXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3NO3/c8-3-4-1-2-7-6(10)5(4)9/h1-3H.
What are the key properties of 2,3-dioxopyridine-4-carbaldehyde?
2,3-dioxopyridine-4-carbaldehyde has a molecular weight of 137.09 g/mol, XLogP of -0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxopyridine-4-carbaldehyde is sourced from PubChem (CID 178188624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).