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

C7H7FN2O5 — CID 174630009

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl) 2-hydroxypropanoate
SMILESCC(O)C(=O)On1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H7FN2O5/c1-3(11)6(13)15-10-2-4(8)5(12)9-7(10)14/h2-3,11H,1H3,(H,9,12,14)
InChIKeyUWQUJFKBURGQFU-UHFFFAOYSA-N
MW218.14 g/mol
LogP-1.99
Rot. Bonds2

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

(5-fluoro-2,4-dioxopyrimidin-1-yl) 2-hydroxypropanoate (PubChem CID 174630009) has the molecular formula C7H7FN2O5 and a molecular weight of 218.14 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl) 2-hydroxypropanoate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl) 2-hydroxypropanoate
PubChem CID174630009
Molecular FormulaC7H7FN2O5
Molecular Weight218.14 g/mol
Exact Mass218.03
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl) 2-hydroxypropanoate
SMILESCC(O)C(=O)On1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H7FN2O5/c1-3(11)6(13)15-10-2-4(8)5(12)9-7(10)14/h2-3,11H,1H3,(H,9,12,14)
InChIKeyUWQUJFKBURGQFU-UHFFFAOYSA-N
XLogP-1.99
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 5-1.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl) 2-hydroxypropanoate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl) 2-hydroxypropanoate (CID 174630009) is (5-fluoro-2,4-dioxopyrimidin-1-yl) 2-hydroxypropanoate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl) 2-hydroxypropanoate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl) 2-hydroxypropanoate is CC(O)C(=O)On1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl) 2-hydroxypropanoate?
The InChIKey is UWQUJFKBURGQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O5/c1-3(11)6(13)15-10-2-4(8)5(12)9-7(10)14/h2-3,11H,1H3,(H,9,12,14).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl) 2-hydroxypropanoate?
(5-fluoro-2,4-dioxopyrimidin-1-yl) 2-hydroxypropanoate has a molecular weight of 218.14 g/mol, XLogP of -1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl) 2-hydroxypropanoate is sourced from PubChem (CID 174630009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).