2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate

C6H4FN2O4- — CID 4247696

IUPAC2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESO=C([O-])Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H5FN2O4/c7-3-1-9(2-4(10)11)6(13)8-5(3)12/h1H,2H2,(H,10,11)(H,8,12,13)/p-1
InChIKeyCPMUSDZOVZYEJJ-UHFFFAOYSA-M
MW187.11 g/mol
LogP-2.57
Rot. Bonds2

About 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate

2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 4247696) has the molecular formula C6H4FN2O4- and a molecular weight of 187.11 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
PubChem CID4247696
Molecular FormulaC6H4FN2O4-
Molecular Weight187.11 g/mol
Exact Mass187.02
IUPAC Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESO=C([O-])Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C6H5FN2O4/c7-3-1-9(2-4(10)11)6(13)8-5(3)12/h1H,2H2,(H,10,11)(H,8,12,13)/p-1
InChIKeyCPMUSDZOVZYEJJ-UHFFFAOYSA-M
XLogP-2.57
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 5-2.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (CID 4247696) is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is O=C([O-])Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is CPMUSDZOVZYEJJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5FN2O4/c7-3-1-9(2-4(10)11)6(13)8-5(3)12/h1H,2H2,(H,10,11)(H,8,12,13)/p-1.
What are the key properties of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 187.11 g/mol, XLogP of -2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 4247696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).