1-(2,5-dioxopyrrolidin-1-yl)-5-iodo-2H-pyridine-3-carboxylic acid

C10H9IN2O4 — CID 21120543

IUPAC1-(2,5-dioxopyrrolidin-1-yl)-5-iodo-2H-pyridine-3-carboxylic acid
SMILESO=C(O)C1=CC(I)=CN(N2C(=O)CCC2=O)C1
InChIInChI=1S/C10H9IN2O4/c11-7-3-6(10(16)17)4-12(5-7)13-8(14)1-2-9(13)15/h3,5H,1-2,4H2,(H,16,17)
InChIKeyRXIJUVKLQSYWLR-UHFFFAOYSA-N
MW348.10 g/mol
LogP0.65
Rot. Bonds2

About 1-(2,5-dioxopyrrolidin-1-yl)-5-iodo-2H-pyridine-3-carboxylic acid

1-(2,5-dioxopyrrolidin-1-yl)-5-iodo-2H-pyridine-3-carboxylic acid (PubChem CID 21120543) has the molecular formula C10H9IN2O4 and a molecular weight of 348.10 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-1-yl)-5-iodo-2H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-1-yl)-5-iodo-2H-pyridine-3-carboxylic acid
PubChem CID21120543
Molecular FormulaC10H9IN2O4
Molecular Weight348.10 g/mol
Exact Mass347.96
IUPAC Name1-(2,5-dioxopyrrolidin-1-yl)-5-iodo-2H-pyridine-3-carboxylic acid
SMILESO=C(O)C1=CC(I)=CN(N2C(=O)CCC2=O)C1
InChIInChI=1S/C10H9IN2O4/c11-7-3-6(10(16)17)4-12(5-7)13-8(14)1-2-9(13)15/h3,5H,1-2,4H2,(H,16,17)
InChIKeyRXIJUVKLQSYWLR-UHFFFAOYSA-N
XLogP0.65
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.10
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid
CID 67830511
carbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
CID 52987775
1-(2-methoxy-2-oxoethyl)-2-oxo-3H-pyrrole-4-carboxylic acid
CID 83819085
1,3-dimethyl-2-oxo-4H-pyrimidine-5-carboxylic acid
CID 123251912
1-cyclohexyl-2-oxo-3H-pyrrole-4-carboxylic acid
CID 83820597
5-oxo-2H-pyran-3-carboxylic acid
CID 141225262
3-[[1-(2,5-dioxopyrrolidin-1-yl)-2H-pyridin-3-yl]disulfanyl]propanoic acid
CID 88715775
2-oxo-1-(3,3,3-trifluoropropyl)-3H-pyrrole-4-carboxylic acid
CID 83822964
1-(carboxymethyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid
CID 122609186
1-[2-(methylamino)ethyl]-2-oxo-3H-pyrrole-4-carboxylic acid
CID 83817321
2-oxo-1-(pyridin-4-ylmethyl)-3H-pyrrole-4-carboxylic acid
CID 83821857
2-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoic acid
CID 43415517

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)-5-iodo-2H-pyridine-3-carboxylic acid?
The IUPAC name of 1-(2,5-dioxopyrrolidin-1-yl)-5-iodo-2H-pyridine-3-carboxylic acid (CID 21120543) is 1-(2,5-dioxopyrrolidin-1-yl)-5-iodo-2H-pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-1-yl)-5-iodo-2H-pyridine-3-carboxylic acid?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-1-yl)-5-iodo-2H-pyridine-3-carboxylic acid is O=C(O)C1=CC(I)=CN(N2C(=O)CCC2=O)C1.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-1-yl)-5-iodo-2H-pyridine-3-carboxylic acid?
The InChIKey is RXIJUVKLQSYWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O4/c11-7-3-6(10(16)17)4-12(5-7)13-8(14)1-2-9(13)15/h3,5H,1-2,4H2,(H,16,17).
What are the key properties of 1-(2,5-dioxopyrrolidin-1-yl)-5-iodo-2H-pyridine-3-carboxylic acid?
1-(2,5-dioxopyrrolidin-1-yl)-5-iodo-2H-pyridine-3-carboxylic acid has a molecular weight of 348.10 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-1-yl)-5-iodo-2H-pyridine-3-carboxylic acid is sourced from PubChem (CID 21120543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).