4-fluoro-1H-pyrazine-2,3-dione

C4H3FN2O2 — CID 143722974

IUPAC4-fluoro-1H-pyrazine-2,3-dione
SMILESO=c1[nH]ccn(F)c1=O
InChIInChI=1S/C4H3FN2O2/c5-7-2-1-6-3(8)4(7)9/h1-2H,(H,6,8)
InChIKeyYYPYFMCULHKJSE-UHFFFAOYSA-N
MW130.08 g/mol
LogP-0.73
Rot. Bonds

About 4-fluoro-1H-pyrazine-2,3-dione

4-fluoro-1H-pyrazine-2,3-dione (PubChem CID 143722974) has the molecular formula C4H3FN2O2 and a molecular weight of 130.08 g/mol. Its IUPAC name is 4-fluoro-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-fluoro-1H-pyrazine-2,3-dione
PubChem CID143722974
Molecular FormulaC4H3FN2O2
Molecular Weight130.08 g/mol
Exact Mass130.02
IUPAC Name4-fluoro-1H-pyrazine-2,3-dione
SMILESO=c1[nH]ccn(F)c1=O
InChIInChI=1S/C4H3FN2O2/c5-7-2-1-6-3(8)4(7)9/h1-2H,(H,6,8)
InChIKeyYYPYFMCULHKJSE-UHFFFAOYSA-N
XLogP-0.73
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.08
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1H-pyrazine-2,3-dione?
The IUPAC name of 4-fluoro-1H-pyrazine-2,3-dione (CID 143722974) is 4-fluoro-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-fluoro-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-fluoro-1H-pyrazine-2,3-dione is O=c1[nH]ccn(F)c1=O.
What is the InChIKey of 4-fluoro-1H-pyrazine-2,3-dione?
The InChIKey is YYPYFMCULHKJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2/c5-7-2-1-6-3(8)4(7)9/h1-2H,(H,6,8).
What are the key properties of 4-fluoro-1H-pyrazine-2,3-dione?
4-fluoro-1H-pyrazine-2,3-dione has a molecular weight of 130.08 g/mol, XLogP of -0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1H-pyrazine-2,3-dione is sourced from PubChem (CID 143722974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).