3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

C11H7FN2O4 — CID 2143098

IUPAC3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)n(-c2ccccc2F)c1=O
InChIInChI=1S/C11H7FN2O4/c12-7-3-1-2-4-8(7)14-9(15)6(10(16)17)5-13-11(14)18/h1-5H,(H,13,18)(H,16,17)
InChIKeyRAFOVQFSBFYBRR-UHFFFAOYSA-N
MW250.19 g/mol
LogP0.36
Rot. Bonds2

About 3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 2143098) has the molecular formula C11H7FN2O4 and a molecular weight of 250.19 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
PubChem CID2143098
Molecular FormulaC11H7FN2O4
Molecular Weight250.19 g/mol
Exact Mass250.04
IUPAC Name3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)n(-c2ccccc2F)c1=O
InChIInChI=1S/C11H7FN2O4/c12-7-3-1-2-4-8(7)14-9(15)6(10(16)17)5-13-11(14)18/h1-5H,(H,13,18)(H,16,17)
InChIKeyRAFOVQFSBFYBRR-UHFFFAOYSA-N
XLogP0.36
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 134815663
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CID 134815727
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CID 134815789
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CID 2395084
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CID 3473475
CID 3473475

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid (CID 2143098) is 3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid is O=C(O)c1c[nH]c(=O)n(-c2ccccc2F)c1=O.
What is the InChIKey of 3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is RAFOVQFSBFYBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O4/c12-7-3-1-2-4-8(7)14-9(15)6(10(16)17)5-13-11(14)18/h1-5H,(H,13,18)(H,16,17).
What are the key properties of 3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 250.19 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 2143098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).