5-iodo-6-oxo-1H-pyrimidine-2-carboxylic acid

C5H3IN2O3 — CID 166648433

IUPAC5-iodo-6-oxo-1H-pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C5H3IN2O3/c6-2-1-7-3(5(10)11)8-4(2)9/h1H,(H,10,11)(H,7,8,9)
InChIKeyAHKNONAVAQCOGC-UHFFFAOYSA-N
MW265.99 g/mol
LogP0.07
Rot. Bonds1

About 5-iodo-6-oxo-1H-pyrimidine-2-carboxylic acid

5-iodo-6-oxo-1H-pyrimidine-2-carboxylic acid (PubChem CID 166648433) has the molecular formula C5H3IN2O3 and a molecular weight of 265.99 g/mol. Its IUPAC name is 5-iodo-6-oxo-1H-pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-iodo-6-oxo-1H-pyrimidine-2-carboxylic acid
PubChem CID166648433
Molecular FormulaC5H3IN2O3
Molecular Weight265.99 g/mol
Exact Mass265.92
IUPAC Name5-iodo-6-oxo-1H-pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(I)c(=O)[nH]1
InChIInChI=1S/C5H3IN2O3/c6-2-1-7-3(5(10)11)8-4(2)9/h1H,(H,10,11)(H,7,8,9)
InChIKeyAHKNONAVAQCOGC-UHFFFAOYSA-N
XLogP0.07
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.99
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-oxo-1H-pyrimidine-2-carboxylic acid?
The IUPAC name of 5-iodo-6-oxo-1H-pyrimidine-2-carboxylic acid (CID 166648433) is 5-iodo-6-oxo-1H-pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-iodo-6-oxo-1H-pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-iodo-6-oxo-1H-pyrimidine-2-carboxylic acid is O=C(O)c1ncc(I)c(=O)[nH]1.
What is the InChIKey of 5-iodo-6-oxo-1H-pyrimidine-2-carboxylic acid?
The InChIKey is AHKNONAVAQCOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IN2O3/c6-2-1-7-3(5(10)11)8-4(2)9/h1H,(H,10,11)(H,7,8,9).
What are the key properties of 5-iodo-6-oxo-1H-pyrimidine-2-carboxylic acid?
5-iodo-6-oxo-1H-pyrimidine-2-carboxylic acid has a molecular weight of 265.99 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-oxo-1H-pyrimidine-2-carboxylic acid is sourced from PubChem (CID 166648433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).