3-(3-fluoro-4-methoxyphenyl)-5,6-dimethyl-1H-pyrazin-2-one

C13H13FN2O2 — CID 106517339

IUPAC3-(3-fluoro-4-methoxyphenyl)-5,6-dimethyl-1H-pyrazin-2-one
SMILESCOc1ccc(-c2nc(C)c(C)[nH]c2=O)cc1F
InChIInChI=1S/C13H13FN2O2/c1-7-8(2)16-13(17)12(15-7)9-4-5-11(18-3)10(14)6-9/h4-6H,1-3H3,(H,16,17)
InChIKeyLIZGMZZBWNSAOC-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.20
Rot. Bonds2

About 3-(3-fluoro-4-methoxyphenyl)-5,6-dimethyl-1H-pyrazin-2-one

3-(3-fluoro-4-methoxyphenyl)-5,6-dimethyl-1H-pyrazin-2-one (PubChem CID 106517339) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-5,6-dimethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-5,6-dimethyl-1H-pyrazin-2-one
PubChem CID106517339
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-5,6-dimethyl-1H-pyrazin-2-one
SMILESCOc1ccc(-c2nc(C)c(C)[nH]c2=O)cc1F
InChIInChI=1S/C13H13FN2O2/c1-7-8(2)16-13(17)12(15-7)9-4-5-11(18-3)10(14)6-9/h4-6H,1-3H3,(H,16,17)
InChIKeyLIZGMZZBWNSAOC-UHFFFAOYSA-N
XLogP2.20
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxyphenyl)-1-methylvinyl]-6-methyl-5-phenyl-4(3H)-pyrimidinone
CID 135437681
N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 8636701
6-fluoro-3-(4-methoxyphenyl)-1H-pyridin-2-one
CID 121012907
6-(2-Fluoro-4methoxyphenyl)-4,5-dihydro-3(2h)-pyridazinone
CID 145865412
N-tert-butyl-2-(4-methoxyphenyl)acetamide
CID 743402
2-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 1122450
2-(2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7048974
N-cyclohexyl-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9041376
4-hydroxy-3-(4-methoxyphenyl)-6-methyl-1H-pyridin-2-one
CID 54719907
2-(3-fluoro-4-methoxyphenyl)-N-(piperidin-3-ylmethyl)acetamide
CID 121572785
3-(3-Fluoro-4-methoxyphenyl)-5,6-dimethylpyridin-2-ol formate
CID 132409312
3-methylsulfanyl-6-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazin-5-one
CID 136863359

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-5,6-dimethyl-1H-pyrazin-2-one?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-5,6-dimethyl-1H-pyrazin-2-one (CID 106517339) is 3-(3-fluoro-4-methoxyphenyl)-5,6-dimethyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-5,6-dimethyl-1H-pyrazin-2-one?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-5,6-dimethyl-1H-pyrazin-2-one is COc1ccc(-c2nc(C)c(C)[nH]c2=O)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-5,6-dimethyl-1H-pyrazin-2-one?
The InChIKey is LIZGMZZBWNSAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-7-8(2)16-13(17)12(15-7)9-4-5-11(18-3)10(14)6-9/h4-6H,1-3H3,(H,16,17).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-5,6-dimethyl-1H-pyrazin-2-one?
3-(3-fluoro-4-methoxyphenyl)-5,6-dimethyl-1H-pyrazin-2-one has a molecular weight of 248.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-5,6-dimethyl-1H-pyrazin-2-one is sourced from PubChem (CID 106517339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).