5-(2,4-dichlorophenyl)-1-methyl-2-(trifluoromethyl)pyridin-4-one

C13H8Cl2F3NO — CID 15457044

IUPAC5-(2,4-dichlorophenyl)-1-methyl-2-(trifluoromethyl)pyridin-4-one
SMILESCn1cc(-c2ccc(Cl)cc2Cl)c(=O)cc1C(F)(F)F
InChIInChI=1S/C13H8Cl2F3NO/c1-19-6-9(8-3-2-7(14)4-10(8)15)11(20)5-12(19)13(16,17)18/h2-6H,1H3
InChIKeyFXLYEBPCRAKSAX-UHFFFAOYSA-N
MW322.11 g/mol
LogP4.38
Rot. Bonds1

About 5-(2,4-dichlorophenyl)-1-methyl-2-(trifluoromethyl)pyridin-4-one

5-(2,4-dichlorophenyl)-1-methyl-2-(trifluoromethyl)pyridin-4-one (PubChem CID 15457044) has the molecular formula C13H8Cl2F3NO and a molecular weight of 322.11 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-1-methyl-2-(trifluoromethyl)pyridin-4-one.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-1-methyl-2-(trifluoromethyl)pyridin-4-one
PubChem CID15457044
Molecular FormulaC13H8Cl2F3NO
Molecular Weight322.11 g/mol
Exact Mass320.99
IUPAC Name5-(2,4-dichlorophenyl)-1-methyl-2-(trifluoromethyl)pyridin-4-one
SMILESCn1cc(-c2ccc(Cl)cc2Cl)c(=O)cc1C(F)(F)F
InChIInChI=1S/C13H8Cl2F3NO/c1-19-6-9(8-3-2-7(14)4-10(8)15)11(20)5-12(19)13(16,17)18/h2-6H,1H3
InChIKeyFXLYEBPCRAKSAX-UHFFFAOYSA-N
XLogP4.38
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,4-dichlorophenyl)-1-methyl-2-(trifluoromethyl)pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-1-methyl-2-(trifluoromethyl)pyridin-4-one?
The IUPAC name of 5-(2,4-dichlorophenyl)-1-methyl-2-(trifluoromethyl)pyridin-4-one (CID 15457044) is 5-(2,4-dichlorophenyl)-1-methyl-2-(trifluoromethyl)pyridin-4-one.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-1-methyl-2-(trifluoromethyl)pyridin-4-one?
The canonical SMILES for 5-(2,4-dichlorophenyl)-1-methyl-2-(trifluoromethyl)pyridin-4-one is Cn1cc(-c2ccc(Cl)cc2Cl)c(=O)cc1C(F)(F)F.
What is the InChIKey of 5-(2,4-dichlorophenyl)-1-methyl-2-(trifluoromethyl)pyridin-4-one?
The InChIKey is FXLYEBPCRAKSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO/c1-19-6-9(8-3-2-7(14)4-10(8)15)11(20)5-12(19)13(16,17)18/h2-6H,1H3.
What are the key properties of 5-(2,4-dichlorophenyl)-1-methyl-2-(trifluoromethyl)pyridin-4-one?
5-(2,4-dichlorophenyl)-1-methyl-2-(trifluoromethyl)pyridin-4-one has a molecular weight of 322.11 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-1-methyl-2-(trifluoromethyl)pyridin-4-one is sourced from PubChem (CID 15457044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).