5-fluoro-3-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidine-2,4-dione

C12H7FN2O4 — CID 3067786

IUPAC5-fluoro-3-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidine-2,4-dione
SMILESO=C1OC(n2c(=O)[nH]cc(F)c2=O)c2ccccc21
InChIInChI=1S/C12H7FN2O4/c13-8-5-14-12(18)15(9(8)16)10-6-3-1-2-4-7(6)11(17)19-10/h1-5,10H,(H,14,18)
InChIKeyLHEJDBBHZGISGW-UHFFFAOYSA-N
MW262.20 g/mol
LogP0.39
Rot. Bonds1

About 5-fluoro-3-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidine-2,4-dione

5-fluoro-3-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 3067786) has the molecular formula C12H7FN2O4 and a molecular weight of 262.20 g/mol. Its IUPAC name is 5-fluoro-3-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID3067786
Molecular FormulaC12H7FN2O4
Molecular Weight262.20 g/mol
Exact Mass262.04
IUPAC Name5-fluoro-3-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidine-2,4-dione
SMILESO=C1OC(n2c(=O)[nH]cc(F)c2=O)c2ccccc21
InChIInChI=1S/C12H7FN2O4/c13-8-5-14-12(18)15(9(8)16)10-6-3-1-2-4-7(6)11(17)19-10/h1-5,10H,(H,14,18)
InChIKeyLHEJDBBHZGISGW-UHFFFAOYSA-N
XLogP0.39
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidine-2,4-dione (CID 3067786) is 5-fluoro-3-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidine-2,4-dione is O=C1OC(n2c(=O)[nH]cc(F)c2=O)c2ccccc21.
What is the InChIKey of 5-fluoro-3-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is LHEJDBBHZGISGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O4/c13-8-5-14-12(18)15(9(8)16)10-6-3-1-2-4-7(6)11(17)19-10/h1-5,10H,(H,14,18).
What are the key properties of 5-fluoro-3-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidine-2,4-dione?
5-fluoro-3-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 262.20 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3067786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).