1-methyl-3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one

C14H12F3NOS — CID 12879353

IUPAC1-methyl-3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCSc1cn(C)cc(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C14H12F3NOS/c1-18-7-11(13(19)12(8-18)20-2)9-4-3-5-10(6-9)14(15,16)17/h3-8H,1-2H3
InChIKeyYGXHMSGOWXBHJP-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.79
Rot. Bonds2

About 1-methyl-3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one

1-methyl-3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one (PubChem CID 12879353) has the molecular formula C14H12F3NOS and a molecular weight of 299.32 g/mol. Its IUPAC name is 1-methyl-3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one.

Molecular Properties

Compound Name1-methyl-3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
PubChem CID12879353
Molecular FormulaC14H12F3NOS
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name1-methyl-3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCSc1cn(C)cc(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C14H12F3NOS/c1-18-7-11(13(19)12(8-18)20-2)9-4-3-5-10(6-9)14(15,16)17/h3-8H,1-2H3
InChIKeyYGXHMSGOWXBHJP-UHFFFAOYSA-N
XLogP3.79
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]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

Related Compounds

Fluridone
CID 43079
(2E)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 5398493
4(1H)-Pyridinone, 1-methyl-3-(1-oxopropyl)-5-[3-(trifluoromethyl)phenyl]-
CID 157858
4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)-
CID 157859
1-(Ethylsulfanyl)-4-(methylamino)-3-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 3036747
3-(Dimethylamino)-1-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 2806232
(E)-3-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-propen-1-one
CID 5707301
(E)-3-(dimethylamino)-1-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 5714081
(E)-1,1,1-Trifluoro-3-phenyl-4-(diethylamino)-3-buten-2-one
CID 102444899
3-Dimethylamino-3'-trifluoromethylacrylophenone
CID 730024
4-(N,N-diethylamino)-1,1,1-trifluoro-3-phenyl-3-buten-2-one
CID 85708178
[(Z)-1-(dimethylamino)-3-oxo-3-[4-(trifluoromethyl)phenyl]prop-1-en-2-yl] thiocyanate
CID 154722816

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The IUPAC name of 1-methyl-3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one (CID 12879353) is 1-methyl-3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one.
What is the SMILES notation for 1-methyl-3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The canonical SMILES for 1-methyl-3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one is CSc1cn(C)cc(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 1-methyl-3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The InChIKey is YGXHMSGOWXBHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NOS/c1-18-7-11(13(19)12(8-18)20-2)9-4-3-5-10(6-9)14(15,16)17/h3-8H,1-2H3.
What are the key properties of 1-methyl-3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
1-methyl-3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one has a molecular weight of 299.32 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one is sourced from PubChem (CID 12879353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).