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

C10H9I2NO5 — CID 24670784

IUPAC(2-methoxy-2-oxoethyl) 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
SMILESCOC(=O)COC(=O)Cn1cc(I)c(=O)c(I)c1
InChIInChI=1S/C10H9I2NO5/c1-17-9(15)5-18-8(14)4-13-2-6(11)10(16)7(12)3-13/h2-3H,4-5H2,1H3
InChIKeyQUVGGUMOKDDBDI-UHFFFAOYSA-N
MW476.99 g/mol
LogP0.77
Rot. Bonds4

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

(2-methoxy-2-oxoethyl) 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate (PubChem CID 24670784) has the molecular formula C10H9I2NO5 and a molecular weight of 476.99 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
PubChem CID24670784
Molecular FormulaC10H9I2NO5
Molecular Weight476.99 g/mol
Exact Mass476.86
IUPAC Name(2-methoxy-2-oxoethyl) 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
SMILESCOC(=O)COC(=O)Cn1cc(I)c(=O)c(I)c1
InChIInChI=1S/C10H9I2NO5/c1-17-9(15)5-18-8(14)4-13-2-6(11)10(16)7(12)3-13/h2-3H,4-5H2,1H3
InChIKeyQUVGGUMOKDDBDI-UHFFFAOYSA-N
XLogP0.77
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.99
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Propyliodone
CID 4949
(1-Amino-1-oxopropan-2-yl) 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
CID 45702574
2-Ethoxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
CID 13306747
Butyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
CID 15572429
[2-(Dimethylamino)-2-oxoethyl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
CID 24357709
(2-Amino-2-oxoethyl) 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
CID 24357712
2-Oxopropyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
CID 24357714
Ethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
CID 24670783
Propan-2-yl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
CID 43010583
[(2S)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
CID 51476902
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
CID 51476903
2-Hydroxyethyl 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate
CID 75414089

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate (CID 24670784) is (2-methoxy-2-oxoethyl) 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate is COC(=O)COC(=O)Cn1cc(I)c(=O)c(I)c1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
The InChIKey is QUVGGUMOKDDBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9I2NO5/c1-17-9(15)5-18-8(14)4-13-2-6(11)10(16)7(12)3-13/h2-3H,4-5H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl) 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate?
(2-methoxy-2-oxoethyl) 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate has a molecular weight of 476.99 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 24670784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).