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

C15H13I2NO3 — CID 92643637

IUPACethyl (2R)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-2-phenylacetate
SMILESCCOC(=O)[C@@H](c1ccccc1)n1cc(I)c(=O)c(I)c1
InChIInChI=1S/C15H13I2NO3/c1-2-21-15(20)13(10-6-4-3-5-7-10)18-8-11(16)14(19)12(17)9-18/h3-9,13H,2H2,1H3/t13-/m1/s1
InChIKeySUTVPZANEGPWEQ-CYBMUJFWSA-N
MW509.08 g/mol
LogP3.21
Rot. Bonds4

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

ethyl (2R)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-2-phenylacetate (PubChem CID 92643637) has the molecular formula C15H13I2NO3 and a molecular weight of 509.08 g/mol. Its IUPAC name is ethyl (2R)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2R)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-2-phenylacetate
PubChem CID92643637
Molecular FormulaC15H13I2NO3
Molecular Weight509.08 g/mol
Exact Mass508.90
IUPAC Nameethyl (2R)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-2-phenylacetate
SMILESCCOC(=O)[C@@H](c1ccccc1)n1cc(I)c(=O)c(I)c1
InChIInChI=1S/C15H13I2NO3/c1-2-21-15(20)13(10-6-4-3-5-7-10)18-8-11(16)14(19)12(17)9-18/h3-9,13H,2H2,1H3/t13-/m1/s1
InChIKeySUTVPZANEGPWEQ-CYBMUJFWSA-N
XLogP3.21
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.08
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-phenylacetate
CID 103600878
ethyl 2-phenyl-2-(1,2,4-triazol-1-yl)acetate
CID 106676925
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-iodooxy-2-phenylacetate
CID 70900074
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
ethyl 2-(2,5-dimethylmorpholin-4-yl)-2-phenylacetate
CID 106677030
ethyl 2-amino-3-chloro-3-phenylpropanoate
CID 14423202
ethyl (2R)-2-amino-3-chloro-3-phenylpropanoate
CID 54155299

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-2-phenylacetate?
The IUPAC name of ethyl (2R)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-2-phenylacetate (CID 92643637) is ethyl (2R)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-2-phenylacetate.
What is the SMILES notation for ethyl (2R)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-2-phenylacetate?
The canonical SMILES for ethyl (2R)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-2-phenylacetate is CCOC(=O)[C@@H](c1ccccc1)n1cc(I)c(=O)c(I)c1.
What is the InChIKey of ethyl (2R)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-2-phenylacetate?
The InChIKey is SUTVPZANEGPWEQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H13I2NO3/c1-2-21-15(20)13(10-6-4-3-5-7-10)18-8-11(16)14(19)12(17)9-18/h3-9,13H,2H2,1H3/t13-/m1/s1.
What are the key properties of ethyl (2R)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-2-phenylacetate?
ethyl (2R)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-2-phenylacetate has a molecular weight of 509.08 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(3,5-diiodo-4-oxo-1-pyridinyl)-2-phenylacetate is sourced from PubChem (CID 92643637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).