2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid

C11H13F3N2O4S — CID 79876565

IUPAC2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCN(CCS(C)(=O)=O)c1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C11H13F3N2O4S/c1-16(5-6-21(2,19)20)9-7(10(17)18)3-4-8(15-9)11(12,13)14/h3-4H,5-6H2,1-2H3,(H,17,18)
InChIKeyXEWBWQNIXSMWEQ-UHFFFAOYSA-N
MW326.30 g/mol
LogP1.28
Rot. Bonds5

About 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79876565) has the molecular formula C11H13F3N2O4S and a molecular weight of 326.30 g/mol. Its IUPAC name is 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79876565
Molecular FormulaC11H13F3N2O4S
Molecular Weight326.30 g/mol
Exact Mass326.05
IUPAC Name2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCN(CCS(C)(=O)=O)c1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C11H13F3N2O4S/c1-16(5-6-21(2,19)20)9-7(10(17)18)3-4-8(15-9)11(12,13)14/h3-4H,5-6H2,1-2H3,(H,17,18)
InChIKeyXEWBWQNIXSMWEQ-UHFFFAOYSA-N
XLogP1.28
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966327
2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875830
4-[[3-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]-methylamino]butanoic acid
CID 79874313
2-[cyclopropyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877297
2-methyl-4-[methyl(2-methylsulfonylethyl)amino]benzoic acid
CID 79850557
2-[methyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869003
2-[2-(dimethylamino)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877024
3-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
CID 114288792
2-fluoro-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 97035085
2-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876689
6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63380049
6-methyl-2-[methyl(propyl)amino]pyridine-3-carboxylic acid
CID 62701479

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79876565) is 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid is CN(CCS(C)(=O)=O)c1nc(C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is XEWBWQNIXSMWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4S/c1-16(5-6-21(2,19)20)9-7(10(17)18)3-4-8(15-9)11(12,13)14/h3-4H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 326.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79876565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).