6-iodo-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

C5H3IN2O4 — CID 134200120

IUPAC6-iodo-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c(I)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H3IN2O4/c6-2-1(4(10)11)3(9)8-5(12)7-2/h(H,10,11)(H2,7,8,9,12)
InChIKeyYAIRAEMESADFQO-UHFFFAOYSA-N
MW281.99 g/mol
LogP-0.63
Rot. Bonds1

About 6-iodo-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

6-iodo-2,4-dioxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 134200120) has the molecular formula C5H3IN2O4 and a molecular weight of 281.99 g/mol. Its IUPAC name is 6-iodo-2,4-dioxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-iodo-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
PubChem CID134200120
Molecular FormulaC5H3IN2O4
Molecular Weight281.99 g/mol
Exact Mass281.91
IUPAC Name6-iodo-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c(I)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H3IN2O4/c6-2-1(4(10)11)3(9)8-5(12)7-2/h(H,10,11)(H2,7,8,9,12)
InChIKeyYAIRAEMESADFQO-UHFFFAOYSA-N
XLogP-0.63
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.99
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
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 6-iodo-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-iodo-2,4-dioxo-1H-pyrimidine-5-carboxylic acid (CID 134200120) is 6-iodo-2,4-dioxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-iodo-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-iodo-2,4-dioxo-1H-pyrimidine-5-carboxylic acid is O=C(O)c1c(I)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-iodo-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is YAIRAEMESADFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IN2O4/c6-2-1(4(10)11)3(9)8-5(12)7-2/h(H,10,11)(H2,7,8,9,12).
What are the key properties of 6-iodo-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
6-iodo-2,4-dioxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 281.99 g/mol, XLogP of -0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2,4-dioxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 134200120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).