6-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-ol

C12H8F3NO3S — CID 5067545

IUPAC6-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-ol
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
InChIInChI=1S/C12H8F3NO3S/c13-12(14,15)8-2-1-3-10(6-8)20(18,19)11-5-4-9(17)7-16-11/h1-7,17H
InChIKeyYTFWXVCJKWERHG-UHFFFAOYSA-N
MW303.26 g/mol
LogP2.64
Rot. Bonds2

About 6-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-ol

6-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-ol (PubChem CID 5067545) has the molecular formula C12H8F3NO3S and a molecular weight of 303.26 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-ol.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-ol
PubChem CID5067545
Molecular FormulaC12H8F3NO3S
Molecular Weight303.26 g/mol
Exact Mass303.02
IUPAC Name6-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-ol
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1
InChIInChI=1S/C12H8F3NO3S/c13-12(14,15)8-2-1-3-10(6-8)20(18,19)11-5-4-9(17)7-16-11/h1-7,17H
InChIKeyYTFWXVCJKWERHG-UHFFFAOYSA-N
XLogP2.64
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-ol?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-ol (CID 5067545) is 6-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-ol.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-ol?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-ol is O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccc(O)cn1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-ol?
The InChIKey is YTFWXVCJKWERHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3S/c13-12(14,15)8-2-1-3-10(6-8)20(18,19)11-5-4-9(17)7-16-11/h1-7,17H.
What are the key properties of 6-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-ol?
6-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-ol has a molecular weight of 303.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenyl]sulfonylpyridin-3-ol is sourced from PubChem (CID 5067545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).