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

C11H12F3N3O2S — CID 78966327

IUPAC2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(CCS(C)(=O)=O)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C11H12F3N3O2S/c1-17(5-6-20(2,18)19)10-8(7-15)3-4-9(16-10)11(12,13)14/h3-4H,5-6H2,1-2H3
InChIKeyDPKFCHSJOCWWFF-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.45
Rot. Bonds4

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

2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78966327) has the molecular formula C11H12F3N3O2S and a molecular weight of 307.30 g/mol. Its IUPAC name is 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78966327
Molecular FormulaC11H12F3N3O2S
Molecular Weight307.30 g/mol
Exact Mass307.06
IUPAC Name2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(CCS(C)(=O)=O)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C11H12F3N3O2S/c1-17(5-6-20(2,18)19)10-8(7-15)3-4-9(16-10)11(12,13)14/h3-4H,5-6H2,1-2H3
InChIKeyDPKFCHSJOCWWFF-UHFFFAOYSA-N
XLogP1.45
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876565
2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133413062
2-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877270
2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873372
2-[propan-2-yl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869680
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965959
2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965968
2-methyl-4-[methyl(2-methylsulfonylethyl)amino]benzonitrile
CID 81282010
2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966431
2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106618416
2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79034050
2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966016

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78966327) is 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CN(CCS(C)(=O)=O)c1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is DPKFCHSJOCWWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2S/c1-17(5-6-20(2,18)19)10-8(7-15)3-4-9(16-10)11(12,13)14/h3-4H,5-6H2,1-2H3.
What are the key properties of 2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 307.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 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-carbonitrile is sourced from PubChem (CID 78966327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).