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

C17H16F3NO3 — CID 11645784

IUPACethyl 2,4-dimethyl-6-oxo-1-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(-c2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C17H16F3NO3/c1-4-24-16(23)15-10(2)9-14(22)21(11(15)3)13-8-6-5-7-12(13)17(18,19)20/h5-9H,4H2,1-3H3
InChIKeyLYLXBAQZFIAOIT-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.65
Rot. Bonds3

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

ethyl 2,4-dimethyl-6-oxo-1-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate (PubChem CID 11645784) 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-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-6-oxo-1-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
PubChem CID11645784
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Nameethyl 2,4-dimethyl-6-oxo-1-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(-c2ccccc2C(F)(F)F)c1C
InChIInChI=1S/C17H16F3NO3/c1-4-24-16(23)15-10(2)9-14(22)21(11(15)3)13-8-6-5-7-12(13)17(18,19)20/h5-9H,4H2,1-3H3
InChIKeyLYLXBAQZFIAOIT-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

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Related Compounds

(3E)-3-[1-[2-(trifluoromethyl)anilino]ethylidene]oxolan-2-one
CID 16195102
butyl (E)-3-(2-acetamido-5-fluorophenyl)prop-2-enoate
CID 101539794
ethyl (Z)-3-phenyl-3-[4-(trifluoromethyl)anilino]prop-2-enoate
CID 139253528
ethyl (E)-3-(2-acetamidophenyl)prop-2-enoate
CID 11085678
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)-3-(2-acetamido-5-fluorophenyl)prop-2-enoate
CID 57327341
butyl (E)-3-[2-acetamido-5-(trifluoromethyl)phenyl]prop-2-enoate
CID 11301924
ethyl (E)-4,4,4-trifluoro-3-(2-methylanilino)but-2-enoate
CID 11357785
ethyl (Z)-2-methyl-3-[4-(trifluoromethyl)anilino]but-2-enoate
CID 44603968
butyl (E)-3-(6-acetamido-2,3-difluorophenyl)prop-2-enoate
CID 101479655
Methyl-1,4-dihydro-2,6-dimethyl-3-nitro(2-trifluoromethylphenyl)pyridine-5-carboxylate
CID 129844460

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-6-oxo-1-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-6-oxo-1-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate (CID 11645784) is ethyl 2,4-dimethyl-6-oxo-1-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-6-oxo-1-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-6-oxo-1-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate is CCOC(=O)c1c(C)cc(=O)n(-c2ccccc2C(F)(F)F)c1C.
What is the InChIKey of ethyl 2,4-dimethyl-6-oxo-1-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The InChIKey is LYLXBAQZFIAOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-4-24-16(23)15-10(2)9-14(22)21(11(15)3)13-8-6-5-7-12(13)17(18,19)20/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 2,4-dimethyl-6-oxo-1-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
ethyl 2,4-dimethyl-6-oxo-1-[2-(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-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 11645784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).