ethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

C12H15F3N2O2 — CID 68681447

IUPACethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(C(F)(F)F)nc1N(C)C
InChIInChI=1S/C12H15F3N2O2/c1-5-19-11(18)9-7(2)6-8(12(13,14)15)16-10(9)17(3)4/h6H,5H2,1-4H3
InChIKeyZQTURPWBGSDFJB-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.65
Rot. Bonds3

About ethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

ethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 68681447) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID68681447
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Nameethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(C(F)(F)F)nc1N(C)C
InChIInChI=1S/C12H15F3N2O2/c1-5-19-11(18)9-7(2)6-8(12(13,14)15)16-10(9)17(3)4/h6H,5H2,1-4H3
InChIKeyZQTURPWBGSDFJB-UHFFFAOYSA-N
XLogP2.65
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 68683222
ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate
CID 165455745
2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 69019134
ethyl 2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134673829
ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134680122
ethyl 4-(4-fluorophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 10687624
ethyl 4-nitro-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133096774
diethyl 6-(dimethylamino)-2-(trichloromethyl)pyrimidine-4,5-dicarboxylate
CID 132534053
ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71523887
ethyl 4-methyl-6-nitro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677654
ethyl 4-hydroxy-3-iodo-6-methyl-2-(trifluoromethyl)benzoate
CID 134907693
ethyl 3-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134664378

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (CID 68681447) is ethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(C)cc(C(F)(F)F)nc1N(C)C.
What is the InChIKey of ethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is ZQTURPWBGSDFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-5-19-11(18)9-7(2)6-8(12(13,14)15)16-10(9)17(3)4/h6H,5H2,1-4H3.
What are the key properties of ethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 276.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 68681447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).