ethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate

C9H9I2NO3 — CID 24670783

IUPACethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1cc(I)c(=O)c(I)c1
InChIInChI=1S/C9H9I2NO3/c1-2-15-8(13)5-12-3-6(10)9(14)7(11)4-12/h3-4H,2,5H2,1H3
InChIKeyQJEGDIQCIYWKRC-UHFFFAOYSA-N
MW432.98 g/mol
LogP1.62
Rot. Bonds3

About ethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate

ethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate (PubChem CID 24670783) has the molecular formula C9H9I2NO3 and a molecular weight of 432.98 g/mol. Its IUPAC name is ethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
PubChem CID24670783
Molecular FormulaC9H9I2NO3
Molecular Weight432.98 g/mol
Exact Mass432.87
IUPAC Nameethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1cc(I)c(=O)c(I)c1
InChIInChI=1S/C9H9I2NO3/c1-2-15-8(13)5-12-3-6(10)9(14)7(11)4-12/h3-4H,2,5H2,1H3
InChIKeyQJEGDIQCIYWKRC-UHFFFAOYSA-N
XLogP1.62
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.98
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate (CID 24670783) is ethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate is CCOC(=O)Cn1cc(I)c(=O)c(I)c1.
What is the InChIKey of ethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
The InChIKey is QJEGDIQCIYWKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9I2NO3/c1-2-15-8(13)5-12-3-6(10)9(14)7(11)4-12/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
ethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate has a molecular weight of 432.98 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 24670783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).