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

C16H15F3N2O3 — CID 71523844

IUPACmethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)nc1N(C)c1ccc(OC)cc1
InChIInChI=1S/C16H15F3N2O3/c1-21(10-4-6-11(23-2)7-5-10)14-12(15(22)24-3)8-9-13(20-14)16(17,18)19/h4-9H,1-3H3
InChIKeyJLCDWNSKRLVIOI-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.66
Rot. Bonds4

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

methyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 71523844) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is methyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID71523844
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Namemethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)nc1N(C)c1ccc(OC)cc1
InChIInChI=1S/C16H15F3N2O3/c1-21(10-4-6-11(23-2)7-5-10)14-12(15(22)24-3)8-9-13(20-14)16(17,18)19/h4-9H,1-3H3
InChIKeyJLCDWNSKRLVIOI-UHFFFAOYSA-N
XLogP3.66
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71523887
propan-2-yl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 71523888
methyl 2-(4-methoxy-N-methylanilino)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 122505030
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111
methyl 2-(dimethylcarbamothioyloxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 54373048
[(4,6-dimethoxypyrimidin-2-yl)-[3-methoxycarbonyl-6-(trifluoromethyl)-2-pyridinyl]carbamoyl]sulfamic acid
CID 100975563
methyl 2-(2-methylpropanoyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 166454638
methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate
CID 53417431
methyl 2-(1-isocyanocyclopropyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 170542163
methyl 2-(2-hydroxyethoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 169434452
methyl 2-amino-3-(4-methoxy-N-methylanilino)benzoate
CID 115545752
methyl 2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134633894

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate (CID 71523844) is methyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(F)(F)F)nc1N(C)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is JLCDWNSKRLVIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-21(10-4-6-11(23-2)7-5-10)14-12(15(22)24-3)8-9-13(20-14)16(17,18)19/h4-9H,1-3H3.
What are the key properties of methyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate?
methyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 340.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 71523844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).