2-(3-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid

C6H5FN2O4 — CID 141092594

IUPAC2-(3-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESO=C(O)Cn1ccc(=O)n(F)c1=O
InChIInChI=1S/C6H5FN2O4/c7-9-4(10)1-2-8(6(9)13)3-5(11)12/h1-2H,3H2,(H,11,12)
InChIKeyIRJNZEMHPJXTJA-UHFFFAOYSA-N
MW188.11 g/mol
LogP-1.17
Rot. Bonds2

About 2-(3-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid

2-(3-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid (PubChem CID 141092594) has the molecular formula C6H5FN2O4 and a molecular weight of 188.11 g/mol. Its IUPAC name is 2-(3-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid
PubChem CID141092594
Molecular FormulaC6H5FN2O4
Molecular Weight188.11 g/mol
Exact Mass188.02
IUPAC Name2-(3-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESO=C(O)Cn1ccc(=O)n(F)c1=O
InChIInChI=1S/C6H5FN2O4/c7-9-4(10)1-2-8(6(9)13)3-5(11)12/h1-2H,3H2,(H,11,12)
InChIKeyIRJNZEMHPJXTJA-UHFFFAOYSA-N
XLogP-1.17
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(3-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid (CID 141092594) is 2-(3-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid is O=C(O)Cn1ccc(=O)n(F)c1=O.
What is the InChIKey of 2-(3-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid?
The InChIKey is IRJNZEMHPJXTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O4/c7-9-4(10)1-2-8(6(9)13)3-5(11)12/h1-2H,3H2,(H,11,12).
What are the key properties of 2-(3-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid?
2-(3-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid has a molecular weight of 188.11 g/mol, XLogP of -1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 141092594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).