pyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol

C12H9F3N2OS — CID 63969212

IUPACpyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESOC(c1ccc(SC(F)(F)F)cc1)c1cnccn1
InChIInChI=1S/C12H9F3N2OS/c13-12(14,15)19-9-3-1-8(2-4-9)11(18)10-7-16-5-6-17-10/h1-7,11,18H
InChIKeyOLWAXPZEILYTOK-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.17
Rot. Bonds3

About pyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol

pyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol (PubChem CID 63969212) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is pyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Namepyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol
PubChem CID63969212
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Namepyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESOC(c1ccc(SC(F)(F)F)cc1)c1cnccn1
InChIInChI=1S/C12H9F3N2OS/c13-12(14,15)19-9-3-1-8(2-4-9)11(18)10-7-16-5-6-17-10/h1-7,11,18H
InChIKeyOLWAXPZEILYTOK-UHFFFAOYSA-N
XLogP3.17
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze pyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The IUPAC name of pyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol (CID 63969212) is pyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol.
What is the SMILES notation for pyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The canonical SMILES for pyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol is OC(c1ccc(SC(F)(F)F)cc1)c1cnccn1.
What is the InChIKey of pyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The InChIKey is OLWAXPZEILYTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c13-12(14,15)19-9-3-1-8(2-4-9)11(18)10-7-16-5-6-17-10/h1-7,11,18H.
What are the key properties of pyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol?
pyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol has a molecular weight of 286.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[4-(trifluoromethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 63969212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).