2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol

C12H8F3NOS — CID 902004

IUPAC2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol
SMILESOc1cccnc1Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H8F3NOS/c13-12(14,15)8-3-1-4-9(7-8)18-11-10(17)5-2-6-16-11/h1-7,17H
InChIKeyVYSNJZIAYAHDLB-UHFFFAOYSA-N
MW271.26 g/mol
LogP3.96
Rot. Bonds2

About 2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol

2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol (PubChem CID 902004) has the molecular formula C12H8F3NOS and a molecular weight of 271.26 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol
PubChem CID902004
Molecular FormulaC12H8F3NOS
Molecular Weight271.26 g/mol
Exact Mass271.03
IUPAC Name2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol
SMILESOc1cccnc1Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H8F3NOS/c13-12(14,15)8-3-1-4-9(7-8)18-11-10(17)5-2-6-16-11/h1-7,17H
InChIKeyVYSNJZIAYAHDLB-UHFFFAOYSA-N
XLogP3.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol (CID 902004) is 2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol is Oc1cccnc1Sc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol?
The InChIKey is VYSNJZIAYAHDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NOS/c13-12(14,15)8-3-1-4-9(7-8)18-11-10(17)5-2-6-16-11/h1-7,17H.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol?
2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol has a molecular weight of 271.26 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]sulfanylpyridin-3-ol is sourced from PubChem (CID 902004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).