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

C12H7Cl2F3N2O — CID 19365488

IUPAC3-(2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one
SMILESCn1c(C(F)(F)F)cnc(-c2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C12H7Cl2F3N2O/c1-19-9(12(15,16)17)5-18-10(11(19)20)7-3-2-6(13)4-8(7)14/h2-5H,1H3
InChIKeyYGGZURGEVOCTPR-UHFFFAOYSA-N
MW323.10 g/mol
LogP3.77
Rot. Bonds1

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

3-(2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one (PubChem CID 19365488) has the molecular formula C12H7Cl2F3N2O and a molecular weight of 323.10 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one
PubChem CID19365488
Molecular FormulaC12H7Cl2F3N2O
Molecular Weight323.10 g/mol
Exact Mass321.99
IUPAC Name3-(2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one
SMILESCn1c(C(F)(F)F)cnc(-c2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C12H7Cl2F3N2O/c1-19-9(12(15,16)17)5-18-10(11(19)20)7-3-2-6(13)4-8(7)14/h2-5H,1H3
InChIKeyYGGZURGEVOCTPR-UHFFFAOYSA-N
XLogP3.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.10
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one (CID 19365488) is 3-(2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one is Cn1c(C(F)(F)F)cnc(-c2ccc(Cl)cc2Cl)c1=O.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one?
The InChIKey is YGGZURGEVOCTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N2O/c1-19-9(12(15,16)17)5-18-10(11(19)20)7-3-2-6(13)4-8(7)14/h2-5H,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one?
3-(2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one has a molecular weight of 323.10 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one is sourced from PubChem (CID 19365488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).