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

C9H9I2NO4 — CID 75414089

IUPAC2-hydroxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
SMILESO=C(Cn1cc(I)c(=O)c(I)c1)OCCO
InChIInChI=1S/C9H9I2NO4/c10-6-3-12(4-7(11)9(6)15)5-8(14)16-2-1-13/h3-4,13H,1-2,5H2
InChIKeyFWDNMIXEUNZVLL-UHFFFAOYSA-N
MW448.98 g/mol
LogP0.59
Rot. Bonds4

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

2-hydroxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate (PubChem CID 75414089) has the molecular formula C9H9I2NO4 and a molecular weight of 448.98 g/mol. Its IUPAC name is 2-hydroxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
PubChem CID75414089
Molecular FormulaC9H9I2NO4
Molecular Weight448.98 g/mol
Exact Mass448.86
IUPAC Name2-hydroxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
SMILESO=C(Cn1cc(I)c(=O)c(I)c1)OCCO
InChIInChI=1S/C9H9I2NO4/c10-6-3-12(4-7(11)9(6)15)5-8(14)16-2-1-13/h3-4,13H,1-2,5H2
InChIKeyFWDNMIXEUNZVLL-UHFFFAOYSA-N
XLogP0.59
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.98
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
The IUPAC name of 2-hydroxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate (CID 75414089) is 2-hydroxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate.
What is the SMILES notation for 2-hydroxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
The canonical SMILES for 2-hydroxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate is O=C(Cn1cc(I)c(=O)c(I)c1)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
The InChIKey is FWDNMIXEUNZVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9I2NO4/c10-6-3-12(4-7(11)9(6)15)5-8(14)16-2-1-13/h3-4,13H,1-2,5H2.
What are the key properties of 2-hydroxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
2-hydroxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate has a molecular weight of 448.98 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 75414089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).