5-fluoro-2,6-dioxopyrimidine-5-carboxylic acid

C5H3FN2O4 — CID 150344785

IUPAC5-fluoro-2,6-dioxopyrimidine-5-carboxylic acid
SMILESO=C1N=CC(F)(C(=O)O)C(=O)N1
InChIInChI=1S/C5H3FN2O4/c6-5(3(10)11)1-7-4(12)8-2(5)9/h1H,(H,10,11)(H,8,9,12)
InChIKeyGSLPODYOQLVRMI-UHFFFAOYSA-N
MW174.09 g/mol
LogP-0.90
Rot. Bonds1

About 5-fluoro-2,6-dioxopyrimidine-5-carboxylic acid

5-fluoro-2,6-dioxopyrimidine-5-carboxylic acid (PubChem CID 150344785) has the molecular formula C5H3FN2O4 and a molecular weight of 174.09 g/mol. Its IUPAC name is 5-fluoro-2,6-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2,6-dioxopyrimidine-5-carboxylic acid
PubChem CID150344785
Molecular FormulaC5H3FN2O4
Molecular Weight174.09 g/mol
Exact Mass174.01
IUPAC Name5-fluoro-2,6-dioxopyrimidine-5-carboxylic acid
SMILESO=C1N=CC(F)(C(=O)O)C(=O)N1
InChIInChI=1S/C5H3FN2O4/c6-5(3(10)11)1-7-4(12)8-2(5)9/h1H,(H,10,11)(H,8,9,12)
InChIKeyGSLPODYOQLVRMI-UHFFFAOYSA-N
XLogP-0.90
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.09
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,6-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 5-fluoro-2,6-dioxopyrimidine-5-carboxylic acid (CID 150344785) is 5-fluoro-2,6-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 5-fluoro-2,6-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 5-fluoro-2,6-dioxopyrimidine-5-carboxylic acid is O=C1N=CC(F)(C(=O)O)C(=O)N1.
What is the InChIKey of 5-fluoro-2,6-dioxopyrimidine-5-carboxylic acid?
The InChIKey is GSLPODYOQLVRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O4/c6-5(3(10)11)1-7-4(12)8-2(5)9/h1H,(H,10,11)(H,8,9,12).
What are the key properties of 5-fluoro-2,6-dioxopyrimidine-5-carboxylic acid?
5-fluoro-2,6-dioxopyrimidine-5-carboxylic acid has a molecular weight of 174.09 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,6-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 150344785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).