4-(methylsulfonylmethyl)-6-(trifluoromethyl)pyridin-2-amine

C8H9F3N2O2S — CID 118367652

IUPAC4-(methylsulfonylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)Cc1cc(N)nc(C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2O2S/c1-16(14,15)4-5-2-6(8(9,10)11)13-7(12)3-5/h2-3H,4H2,1H3,(H2,12,13)
InChIKeyHMDOIPBIGFKHAZ-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.23
Rot. Bonds2

About 4-(methylsulfonylmethyl)-6-(trifluoromethyl)pyridin-2-amine

4-(methylsulfonylmethyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 118367652) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID118367652
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name4-(methylsulfonylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)Cc1cc(N)nc(C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2O2S/c1-16(14,15)4-5-2-6(8(9,10)11)13-7(12)3-5/h2-3H,4H2,1H3,(H2,12,13)
InChIKeyHMDOIPBIGFKHAZ-UHFFFAOYSA-N
XLogP1.23
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-(methylsulfonylmethyl)-6-(trifluoromethyl)pyridin-2-amine (CID 118367652) is 4-(methylsulfonylmethyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 4-(methylsulfonylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-(methylsulfonylmethyl)-6-(trifluoromethyl)pyridin-2-amine is CS(=O)(=O)Cc1cc(N)nc(C(F)(F)F)c1.
What is the InChIKey of 4-(methylsulfonylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HMDOIPBIGFKHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-16(14,15)4-5-2-6(8(9,10)11)13-7(12)3-5/h2-3H,4H2,1H3,(H2,12,13).
What are the key properties of 4-(methylsulfonylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
4-(methylsulfonylmethyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 254.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 118367652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).