3-(2,4-dichlorophenyl)-5-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one

C12H7Cl2F3N2O — CID 139755976

IUPAC3-(2,4-dichlorophenyl)-5-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one
SMILESCc1nc(-c2ccc(Cl)cc2Cl)c(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C12H7Cl2F3N2O/c1-5-10(12(15,16)17)19-11(20)9(18-5)7-3-2-6(13)4-8(7)14/h2-4H,1H3,(H,19,20)
InChIKeyBVZCQPQZIHFPJQ-UHFFFAOYSA-N
MW323.10 g/mol
LogP4.07
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-5-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one

3-(2,4-dichlorophenyl)-5-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one (PubChem CID 139755976) has the molecular formula C12H7Cl2F3N2O and a molecular weight of 323.10 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one
PubChem CID139755976
Molecular FormulaC12H7Cl2F3N2O
Molecular Weight323.10 g/mol
Exact Mass321.99
IUPAC Name3-(2,4-dichlorophenyl)-5-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one
SMILESCc1nc(-c2ccc(Cl)cc2Cl)c(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C12H7Cl2F3N2O/c1-5-10(12(15,16)17)19-11(20)9(18-5)7-3-2-6(13)4-8(7)14/h2-4H,1H3,(H,19,20)
InChIKeyBVZCQPQZIHFPJQ-UHFFFAOYSA-N
XLogP4.07
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.10
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,4-dichlorophenyl)-2,2-dimethyl-2,3-dihydro-4H-imidazol-4-one
CID 3237963
3-(2,4-dichlorophenyl)-6-trifluoromethyl-2(1H)-pyridone
CID 15457186
3-(4-Chloro-2-fluorophenyl)-1-methyl-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365486
3-(2,4-Dichlorophenyl)-1-methyl-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365488
3-(2,4-Dichlorophenyl)-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365495
3-(4-Chloro-2-fluorophenyl)-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365499
3-(4-chloro-2-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one
CID 19365513
3-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one
CID 19365529
3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one
CID 139755979
4-chloro-3-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 139797653
3-(4-chloro-2-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106520031
3-(2-chloro-4-fluorophenyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106521016

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one (CID 139755976) is 3-(2,4-dichlorophenyl)-5-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one is Cc1nc(-c2ccc(Cl)cc2Cl)c(=O)[nH]c1C(F)(F)F.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one?
The InChIKey is BVZCQPQZIHFPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N2O/c1-5-10(12(15,16)17)19-11(20)9(18-5)7-3-2-6(13)4-8(7)14/h2-4H,1H3,(H,19,20).
What are the key properties of 3-(2,4-dichlorophenyl)-5-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one?
3-(2,4-dichlorophenyl)-5-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one has a molecular weight of 323.10 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one is sourced from PubChem (CID 139755976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).