3-(3-bromo-4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one

C12H7BrF4N2O — CID 142633965

IUPAC3-(3-bromo-4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one
SMILESCn1c(C(F)(F)F)cnc(-c2ccc(F)c(Br)c2)c1=O
InChIInChI=1S/C12H7BrF4N2O/c1-19-9(12(15,16)17)5-18-10(11(19)20)6-2-3-8(14)7(13)4-6/h2-5H,1H3
InChIKeyKAWODEXSSLWSME-UHFFFAOYSA-N
MW351.10 g/mol
LogP3.37
Rot. Bonds1

About 3-(3-bromo-4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one

3-(3-bromo-4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one (PubChem CID 142633965) has the molecular formula C12H7BrF4N2O and a molecular weight of 351.10 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one
PubChem CID142633965
Molecular FormulaC12H7BrF4N2O
Molecular Weight351.10 g/mol
Exact Mass349.97
IUPAC Name3-(3-bromo-4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one
SMILESCn1c(C(F)(F)F)cnc(-c2ccc(F)c(Br)c2)c1=O
InChIInChI=1S/C12H7BrF4N2O/c1-19-9(12(15,16)17)5-18-10(11(19)20)6-2-3-8(14)7(13)4-6/h2-5H,1H3
InChIKeyKAWODEXSSLWSME-UHFFFAOYSA-N
XLogP3.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.10
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one
CID 19365488
4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole
CID 115047663
3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one
CID 139797627
3-(3-bromo-4-fluorophenyl)-1-ethylpyrazole-4-carboxylic acid
CID 62913906
2-bromo-1-fluoro-4-(4-methylphenyl)benzene
CID 115049308
2-(3-bromo-4-fluorophenyl)-5-methylpyrimidine-4-carboxylic acid
CID 114245006
3-(3-bromo-4-fluorophenyl)-5-(chloromethyl)-4-methyl-1,2,4-triazole
CID 107958172
4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole
CID 115052084
4-(3-bromo-4-fluorophenyl)-7-ethylimidazo[4,5-c]pyridazine
CID 86723232
2-(3-bromo-4-fluorophenyl)-1,3,5-triazine
CID 82481921
3-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine
CID 79814671
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 107952706

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one (CID 142633965) is 3-(3-bromo-4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one is Cn1c(C(F)(F)F)cnc(-c2ccc(F)c(Br)c2)c1=O.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one?
The InChIKey is KAWODEXSSLWSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF4N2O/c1-19-9(12(15,16)17)5-18-10(11(19)20)6-2-3-8(14)7(13)4-6/h2-5H,1H3.
What are the key properties of 3-(3-bromo-4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one?
3-(3-bromo-4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one has a molecular weight of 351.10 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one is sourced from PubChem (CID 142633965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).