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

C11H13I2NO4 — CID 13306747

IUPAC2-ethoxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
SMILESCCOCCOC(=O)Cn1cc(I)c(=O)c(I)c1
InChIInChI=1S/C11H13I2NO4/c1-2-17-3-4-18-10(15)7-14-5-8(12)11(16)9(13)6-14/h5-6H,2-4,7H2,1H3
InChIKeyHHCQMGOYGHQYNN-UHFFFAOYSA-N
MW477.04 g/mol
LogP1.64
Rot. Bonds6

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

2-ethoxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate (PubChem CID 13306747) has the molecular formula C11H13I2NO4 and a molecular weight of 477.04 g/mol. Its IUPAC name is 2-ethoxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
PubChem CID13306747
Molecular FormulaC11H13I2NO4
Molecular Weight477.04 g/mol
Exact Mass476.89
IUPAC Name2-ethoxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
SMILESCCOCCOC(=O)Cn1cc(I)c(=O)c(I)c1
InChIInChI=1S/C11H13I2NO4/c1-2-17-3-4-18-10(15)7-14-5-8(12)11(16)9(13)6-14/h5-6H,2-4,7H2,1H3
InChIKeyHHCQMGOYGHQYNN-UHFFFAOYSA-N
XLogP1.64
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.04
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-ethoxyethyl 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

Related Compounds

2-ethoxyethyl 2-(3-methylimidazol-3-ium-1-yl)acetate bromide
CID 87366612
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-ethoxyethyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 24518425
2-ethoxyethyl 2-fluoroacetate
CID 88537895
2-(2-ethoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate
CID 90948473
[3-(2-ethoxyethoxy)-3-oxopropyl] 4-iodobenzoate
CID 125468929
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 82345282
2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate
CID 131718681
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376
2-ethoxyethyl 3,4-dimethylpentanoate
CID 142740065
2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
CID 91696182

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
The IUPAC name of 2-ethoxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate (CID 13306747) is 2-ethoxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate.
What is the SMILES notation for 2-ethoxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
The canonical SMILES for 2-ethoxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate is CCOCCOC(=O)Cn1cc(I)c(=O)c(I)c1.
What is the InChIKey of 2-ethoxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
The InChIKey is HHCQMGOYGHQYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13I2NO4/c1-2-17-3-4-18-10(15)7-14-5-8(12)11(16)9(13)6-14/h5-6H,2-4,7H2,1H3.
What are the key properties of 2-ethoxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
2-ethoxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate has a molecular weight of 477.04 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 13306747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).