5-fluoro-6-oxo-1H-pyrimidine-4-carboxylic acid

C5H3FN2O3 — CID 135473736

IUPAC5-fluoro-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc[nH]c(=O)c1F
InChIInChI=1S/C5H3FN2O3/c6-2-3(5(10)11)7-1-8-4(2)9/h1H,(H,10,11)(H,7,8,9)
InChIKeyWZRJLCMLKJVPAJ-UHFFFAOYSA-N
MW158.09 g/mol
LogP-0.39
Rot. Bonds1

About 5-fluoro-6-oxo-1H-pyrimidine-4-carboxylic acid

5-fluoro-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135473736) has the molecular formula C5H3FN2O3 and a molecular weight of 158.09 g/mol. Its IUPAC name is 5-fluoro-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135473736
Molecular FormulaC5H3FN2O3
Molecular Weight158.09 g/mol
Exact Mass158.01
IUPAC Name5-fluoro-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc[nH]c(=O)c1F
InChIInChI=1S/C5H3FN2O3/c6-2-3(5(10)11)7-1-8-4(2)9/h1H,(H,10,11)(H,7,8,9)
InChIKeyWZRJLCMLKJVPAJ-UHFFFAOYSA-N
XLogP-0.39
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.09
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-fluoro-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135473736) is 5-fluoro-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-fluoro-6-oxo-1H-pyrimidine-4-carboxylic acid is O=C(O)c1nc[nH]c(=O)c1F.
What is the InChIKey of 5-fluoro-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is WZRJLCMLKJVPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O3/c6-2-3(5(10)11)7-1-8-4(2)9/h1H,(H,10,11)(H,7,8,9).
What are the key properties of 5-fluoro-6-oxo-1H-pyrimidine-4-carboxylic acid?
5-fluoro-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 158.09 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135473736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).