ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate

C17H17F3N2O3 — CID 71523887

IUPACethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1N(C)c1ccc(OC)cc1
InChIInChI=1S/C17H17F3N2O3/c1-4-25-16(23)13-9-10-14(17(18,19)20)21-15(13)22(2)11-5-7-12(24-3)8-6-11/h5-10H,4H2,1-3H3
InChIKeyHSWKWCSLILDQEH-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.05
Rot. Bonds5

About ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate

ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 71523887) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID71523887
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC Nameethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1N(C)c1ccc(OC)cc1
InChIInChI=1S/C17H17F3N2O3/c1-4-25-16(23)13-9-10-14(17(18,19)20)21-15(13)22(2)11-5-7-12(24-3)8-6-11/h5-10H,4H2,1-3H3
InChIKeyHSWKWCSLILDQEH-UHFFFAOYSA-N
XLogP4.05
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71523844
propan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71523888
ethyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 19791830
ethyl 2-[2-[2-methoxyethyl(methyl)carbamoyl]hydrazinyl]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 121267777
methyl 2-(4-methoxy-N-methylanilino)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 122505030
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 2-(dimethylamino)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 68681447
ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate
CID 162684166
2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868936
ethyl 2-bromo-4-methoxybenzoate
CID 46311272
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31908536
ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 134681879

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate (CID 71523887) is ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(C(F)(F)F)nc1N(C)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is HSWKWCSLILDQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-4-25-16(23)13-9-10-14(17(18,19)20)21-15(13)22(2)11-5-7-12(24-3)8-6-11/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 354.33 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 71523887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).