1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazine-2,3-dione

C12H11FN2O3 — CID 172906025

IUPAC1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazine-2,3-dione
SMILESCOc1ccc(-n2ccn(C)c(=O)c2=O)cc1F
InChIInChI=1S/C12H11FN2O3/c1-14-5-6-15(12(17)11(14)16)8-3-4-10(18-2)9(13)7-8/h3-7H,1-2H3
InChIKeyGUOLEMXFBAFDJQ-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.68
Rot. Bonds2

About 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazine-2,3-dione

1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazine-2,3-dione (PubChem CID 172906025) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazine-2,3-dione
PubChem CID172906025
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazine-2,3-dione
SMILESCOc1ccc(-n2ccn(C)c(=O)c2=O)cc1F
InChIInChI=1S/C12H11FN2O3/c1-14-5-6-15(12(17)11(14)16)8-3-4-10(18-2)9(13)7-8/h3-7H,1-2H3
InChIKeyGUOLEMXFBAFDJQ-UHFFFAOYSA-N
XLogP0.68
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-(3-fluoro-4-methoxyphenyl)pyrazine-2,3-dione
CID 172906443
1-(cyclohexylmethyl)-4-(3-fluoro-4-methoxyphenyl)pyrazine-2,3-dione
CID 172906014
1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione
CID 155981688
1-methyl-4-(3-methylsulfanylphenyl)pyrazine-2,3-dione
CID 172902018
4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione
CID 58393490
1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one
CID 69050321
2-[1-(3-fluoro-4-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62405043
1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione
CID 7286781
1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 142754617
2-(3-fluoro-4-hydroxyphenyl)-6,8-dimethoxyisoquinolin-1-one
CID 67465247
1-(3-fluoro-4-methoxyphenyl)pyrazol-3-amine
CID 102942591
4-(3,4-dimethoxyphenyl)-1H-pyrazine-2,3-dione
CID 22424261

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazine-2,3-dione (CID 172906025) is 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazine-2,3-dione is COc1ccc(-n2ccn(C)c(=O)c2=O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazine-2,3-dione?
The InChIKey is GUOLEMXFBAFDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-14-5-6-15(12(17)11(14)16)8-3-4-10(18-2)9(13)7-8/h3-7H,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazine-2,3-dione?
1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazine-2,3-dione has a molecular weight of 250.23 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 172906025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).