methyl 4-methyl-5-thiophen-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate

C13H10F3NO2S — CID 135043415

IUPACmethyl 4-methyl-5-thiophen-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)c(-c2cccs2)c(C(F)(F)F)n1
InChIInChI=1S/C13H10F3NO2S/c1-7-6-8(12(18)19-2)17-11(13(14,15)16)10(7)9-4-3-5-20-9/h3-6H,1-2H3
InChIKeyUOETYHJTUVLEMK-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.92
Rot. Bonds2

About methyl 4-methyl-5-thiophen-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate

methyl 4-methyl-5-thiophen-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 135043415) has the molecular formula C13H10F3NO2S and a molecular weight of 301.29 g/mol. Its IUPAC name is methyl 4-methyl-5-thiophen-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-5-thiophen-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID135043415
Molecular FormulaC13H10F3NO2S
Molecular Weight301.29 g/mol
Exact Mass301.04
IUPAC Namemethyl 4-methyl-5-thiophen-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)c(-c2cccs2)c(C(F)(F)F)n1
InChIInChI=1S/C13H10F3NO2S/c1-7-6-8(12(18)19-2)17-11(13(14,15)16)10(7)9-4-3-5-20-9/h3-6H,1-2H3
InChIKeyUOETYHJTUVLEMK-UHFFFAOYSA-N
XLogP3.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-5-thiophen-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-methyl-5-thiophen-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate (CID 135043415) is methyl 4-methyl-5-thiophen-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-5-thiophen-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-5-thiophen-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1cc(C)c(-c2cccs2)c(C(F)(F)F)n1.
What is the InChIKey of methyl 4-methyl-5-thiophen-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is UOETYHJTUVLEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2S/c1-7-6-8(12(18)19-2)17-11(13(14,15)16)10(7)9-4-3-5-20-9/h3-6H,1-2H3.
What are the key properties of methyl 4-methyl-5-thiophen-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate?
methyl 4-methyl-5-thiophen-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 301.29 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-5-thiophen-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 135043415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).