1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-carboxylic acid

C7H7FN2O4 — CID 130504744

IUPAC1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(CCF)c(=O)[nH]c1=O
InChIInChI=1S/C7H7FN2O4/c8-1-2-10-3-4(6(12)13)5(11)9-7(10)14/h3H,1-2H2,(H,12,13)(H,9,11,14)
InChIKeyOAAAZEPAMDLNFU-UHFFFAOYSA-N
MW202.14 g/mol
LogP-0.80
Rot. Bonds3

About 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-carboxylic acid

1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-carboxylic acid (PubChem CID 130504744) has the molecular formula C7H7FN2O4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-carboxylic acid
PubChem CID130504744
Molecular FormulaC7H7FN2O4
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Name1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(CCF)c(=O)[nH]c1=O
InChIInChI=1S/C7H7FN2O4/c8-1-2-10-3-4(6(12)13)5(11)9-7(10)14/h3H,1-2H2,(H,12,13)(H,9,11,14)
InChIKeyOAAAZEPAMDLNFU-UHFFFAOYSA-N
XLogP-0.80
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-carboxylic acid (CID 130504744) is 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-carboxylic acid is O=C(O)c1cn(CCF)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-carboxylic acid?
The InChIKey is OAAAZEPAMDLNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O4/c8-1-2-10-3-4(6(12)13)5(11)9-7(10)14/h3H,1-2H2,(H,12,13)(H,9,11,14).
What are the key properties of 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-carboxylic acid?
1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-carboxylic acid has a molecular weight of 202.14 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2,4-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 130504744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).