ethyl 2,4-dimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate

C17H16F3NO3 — CID 11652996

IUPACethyl 2,4-dimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C17H16F3NO3/c1-4-24-16(23)15-10(2)8-14(22)21(11(15)3)13-7-5-6-12(9-13)17(18,19)20/h5-9H,4H2,1-3H3
InChIKeyBRUBVGWJAABTGF-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.65
Rot. Bonds3

About ethyl 2,4-dimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate

ethyl 2,4-dimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate (PubChem CID 11652996) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
PubChem CID11652996
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Nameethyl 2,4-dimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(-c2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C17H16F3NO3/c1-4-24-16(23)15-10(2)8-14(22)21(11(15)3)13-7-5-6-12(9-13)17(18,19)20/h5-9H,4H2,1-3H3
InChIKeyBRUBVGWJAABTGF-UHFFFAOYSA-N
XLogP3.65
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2,4-dimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate 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

(3E)-3-[1-[2-(trifluoromethyl)anilino]ethylidene]oxolan-2-one
CID 16195102
Methyl4-oxo-4-[3-(trifluoromethyl)anilino]-2-butenoate
CID 851916
(E)-3-[3-(Cyclohexanecarbonyl-methyl-amino)-phenyl]-acrylic acid methyl ester
CID 11012074
ethyl (E)-4,4,4-trifluoro-3-[3-(trifluoromethyl)anilino]but-2-enoate
CID 58922492
ethyl (Z)-3-phenyl-3-[4-(trifluoromethyl)anilino]prop-2-enoate
CID 139253528
methyl 2-methyl-5-oxo-1-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 745103
Ethyl 1-(4-fluorophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
CID 11652198
ethyl (E)-4,4,4-trifluoro-3-(3-methylanilino)but-2-enoate
CID 11737376
ethyl (Z)-2-methyl-3-[4-(trifluoromethyl)anilino]but-2-enoate
CID 44603968
butyl (E)-3-(2-acetamido-4,5-difluorophenyl)prop-2-enoate
CID 135014532
ethyl (4R)-4-[methyl(phenyl)carbamoyl]-2-(trifluoromethyl)-6-trimethylsilylcyclohexa-1,5-diene-1-carboxylate
CID 135067820
Ethyl 1,2-diphenyl-5-(trifluoromethyl)-2,3-dihydroazepine-6-carboxylate
CID 138963936

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate (CID 11652996) is ethyl 2,4-dimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate is CCOC(=O)c1c(C)cc(=O)n(-c2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of ethyl 2,4-dimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The InChIKey is BRUBVGWJAABTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-4-24-16(23)15-10(2)8-14(22)21(11(15)3)13-7-5-6-12(9-13)17(18,19)20/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 2,4-dimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
ethyl 2,4-dimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate has a molecular weight of 339.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 11652996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).