3-ethyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylic acid

C7H7FN2O4 — CID 90016818

IUPAC3-ethyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylic acid
SMILESCCn1c(=O)c(F)cn(C(=O)O)c1=O
InChIInChI=1S/C7H7FN2O4/c1-2-9-5(11)4(8)3-10(6(9)12)7(13)14/h3H,2H2,1H3,(H,13,14)
InChIKeyDXQXMSSFCYTZGM-UHFFFAOYSA-N
MW202.14 g/mol
LogP-0.30
Rot. Bonds1

About 3-ethyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylic acid

3-ethyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylic acid (PubChem CID 90016818) has the molecular formula C7H7FN2O4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylic acid
PubChem CID90016818
Molecular FormulaC7H7FN2O4
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Name3-ethyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylic acid
SMILESCCn1c(=O)c(F)cn(C(=O)O)c1=O
InChIInChI=1S/C7H7FN2O4/c1-2-9-5(11)4(8)3-10(6(9)12)7(13)14/h3H,2H2,1H3,(H,13,14)
InChIKeyDXQXMSSFCYTZGM-UHFFFAOYSA-N
XLogP-0.30
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylic acid?
The IUPAC name of 3-ethyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylic acid (CID 90016818) is 3-ethyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylic acid.
What is the SMILES notation for 3-ethyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylic acid?
The canonical SMILES for 3-ethyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylic acid is CCn1c(=O)c(F)cn(C(=O)O)c1=O.
What is the InChIKey of 3-ethyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylic acid?
The InChIKey is DXQXMSSFCYTZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O4/c1-2-9-5(11)4(8)3-10(6(9)12)7(13)14/h3H,2H2,1H3,(H,13,14).
What are the key properties of 3-ethyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylic acid?
3-ethyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylic acid has a molecular weight of 202.14 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylic acid is sourced from PubChem (CID 90016818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).