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

C11H5Cl2F3N2O — CID 19365529

IUPAC3-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H5Cl2F3N2O/c12-5-1-2-6(7(13)3-5)9-10(19)17-4-8(18-9)11(14,15)16/h1-4H,(H,17,19)
InChIKeyYUEASKUOFCDFNY-UHFFFAOYSA-N
MW309.07 g/mol
LogP3.76
Rot. Bonds1

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

3-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one (PubChem CID 19365529) has the molecular formula C11H5Cl2F3N2O and a molecular weight of 309.07 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one
PubChem CID19365529
Molecular FormulaC11H5Cl2F3N2O
Molecular Weight309.07 g/mol
Exact Mass307.97
IUPAC Name3-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H5Cl2F3N2O/c12-5-1-2-6(7(13)3-5)9-10(19)17-4-8(18-9)11(14,15)16/h1-4H,(H,17,19)
InChIKeyYUEASKUOFCDFNY-UHFFFAOYSA-N
XLogP3.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.07
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-methyl-6-(trifluoromethyl)-1H-pyrazin-2-one
CID 139755976
3-(2,4-dichlorophenyl)-6-(difluoromethyl)-5-methyl-1H-pyrazin-2-one
CID 139755979
3-(2-chloro-4-fluorophenyl)-1H-pyrazin-2-one
CID 106520984
3-(2-chloro-5-fluorophenyl)-1H-pyrazin-2-one
CID 106523020
3-(4-chloro-3-fluorophenyl)-1H-pyrazin-2-one
CID 112558915
3-(3-Chloro-4-fluorophenyl)pyrazin-2(1H)-one
CID 112558968
3-(2-chloro-6-fluorophenyl)-1H-pyrazin-2-one
CID 112558975

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one (CID 19365529) is 3-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one is O=c1[nH]cc(C(F)(F)F)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one?
The InChIKey is YUEASKUOFCDFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F3N2O/c12-5-1-2-6(7(13)3-5)9-10(19)17-4-8(18-9)11(14,15)16/h1-4H,(H,17,19).
What are the key properties of 3-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one?
3-(2,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one has a molecular weight of 309.07 g/mol, XLogP of 3.76, 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-(trifluoromethyl)-1H-pyrazin-2-one is sourced from PubChem (CID 19365529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).