5-fluoro-3-hydroxy-1H-pyrimidine-2,4-dione

C4H3FN2O3 — CID 53465200

IUPAC5-fluoro-3-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(F)c(=O)n1O
InChIInChI=1S/C4H3FN2O3/c5-2-1-6-4(9)7(10)3(2)8/h1,10H,(H,6,9)
InChIKeyYAQPYTVFQJNPKG-UHFFFAOYSA-N
MW146.08 g/mol
LogP-1.09
Rot. Bonds

About 5-fluoro-3-hydroxy-1H-pyrimidine-2,4-dione

5-fluoro-3-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 53465200) has the molecular formula C4H3FN2O3 and a molecular weight of 146.08 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID53465200
Molecular FormulaC4H3FN2O3
Molecular Weight146.08 g/mol
Exact Mass146.01
IUPAC Name5-fluoro-3-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(F)c(=O)n1O
InChIInChI=1S/C4H3FN2O3/c5-2-1-6-4(9)7(10)3(2)8/h1,10H,(H,6,9)
InChIKeyYAQPYTVFQJNPKG-UHFFFAOYSA-N
XLogP-1.09
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.08
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-hydroxy-1H-pyrimidine-2,4-dione (CID 53465200) is 5-fluoro-3-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-hydroxy-1H-pyrimidine-2,4-dione is O=c1[nH]cc(F)c(=O)n1O.
What is the InChIKey of 5-fluoro-3-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is YAQPYTVFQJNPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O3/c5-2-1-6-4(9)7(10)3(2)8/h1,10H,(H,6,9).
What are the key properties of 5-fluoro-3-hydroxy-1H-pyrimidine-2,4-dione?
5-fluoro-3-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 146.08 g/mol, XLogP of -1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 53465200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).