3-fluoro-2,6-dioxopyrimidine-4-carboxylic acid

C5H3FN2O4 — CID 22174370

IUPAC3-fluoro-2,6-dioxopyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)n1F
InChIInChI=1S/C5H3FN2O4/c6-8-2(4(10)11)1-3(9)7-5(8)12/h1H,(H,10,11)(H,7,9,12)
InChIKeyKPOYQFZJTVGPJR-UHFFFAOYSA-N
MW174.09 g/mol
LogP-1.03
Rot. Bonds1

About 3-fluoro-2,6-dioxopyrimidine-4-carboxylic acid

3-fluoro-2,6-dioxopyrimidine-4-carboxylic acid (PubChem CID 22174370) has the molecular formula C5H3FN2O4 and a molecular weight of 174.09 g/mol. Its IUPAC name is 3-fluoro-2,6-dioxopyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2,6-dioxopyrimidine-4-carboxylic acid
PubChem CID22174370
Molecular FormulaC5H3FN2O4
Molecular Weight174.09 g/mol
Exact Mass174.01
IUPAC Name3-fluoro-2,6-dioxopyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)n1F
InChIInChI=1S/C5H3FN2O4/c6-8-2(4(10)11)1-3(9)7-5(8)12/h1H,(H,10,11)(H,7,9,12)
InChIKeyKPOYQFZJTVGPJR-UHFFFAOYSA-N
XLogP-1.03
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.09
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,6-dioxopyrimidine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2,6-dioxopyrimidine-4-carboxylic acid (CID 22174370) is 3-fluoro-2,6-dioxopyrimidine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2,6-dioxopyrimidine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2,6-dioxopyrimidine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]c(=O)n1F.
What is the InChIKey of 3-fluoro-2,6-dioxopyrimidine-4-carboxylic acid?
The InChIKey is KPOYQFZJTVGPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O4/c6-8-2(4(10)11)1-3(9)7-5(8)12/h1H,(H,10,11)(H,7,9,12).
What are the key properties of 3-fluoro-2,6-dioxopyrimidine-4-carboxylic acid?
3-fluoro-2,6-dioxopyrimidine-4-carboxylic acid has a molecular weight of 174.09 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,6-dioxopyrimidine-4-carboxylic acid is sourced from PubChem (CID 22174370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).