6-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]pyridin-3-ol

C14H12F3NOS — CID 129069905

IUPAC6-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]pyridin-3-ol
SMILESCCSc1cc(C(F)(F)F)ccc1-c1ccc(O)cn1
InChIInChI=1S/C14H12F3NOS/c1-2-20-13-7-9(14(15,16)17)3-5-11(13)12-6-4-10(19)8-18-12/h3-8,19H,2H2,1H3
InChIKeyQYVWVMJHUGNSDW-UHFFFAOYSA-N
MW299.32 g/mol
LogP4.59
Rot. Bonds3

About 6-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]pyridin-3-ol

6-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]pyridin-3-ol (PubChem CID 129069905) has the molecular formula C14H12F3NOS and a molecular weight of 299.32 g/mol. Its IUPAC name is 6-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]pyridin-3-ol
PubChem CID129069905
Molecular FormulaC14H12F3NOS
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name6-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]pyridin-3-ol
SMILESCCSc1cc(C(F)(F)F)ccc1-c1ccc(O)cn1
InChIInChI=1S/C14H12F3NOS/c1-2-20-13-7-9(14(15,16)17)3-5-11(13)12-6-4-10(19)8-18-12/h3-8,19H,2H2,1H3
InChIKeyQYVWVMJHUGNSDW-UHFFFAOYSA-N
XLogP4.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]pyridin-3-ol 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 6-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]pyridin-3-ol?
The IUPAC name of 6-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]pyridin-3-ol (CID 129069905) is 6-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]pyridin-3-ol.
What is the SMILES notation for 6-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]pyridin-3-ol?
The canonical SMILES for 6-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]pyridin-3-ol is CCSc1cc(C(F)(F)F)ccc1-c1ccc(O)cn1.
What is the InChIKey of 6-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]pyridin-3-ol?
The InChIKey is QYVWVMJHUGNSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NOS/c1-2-20-13-7-9(14(15,16)17)3-5-11(13)12-6-4-10(19)8-18-12/h3-8,19H,2H2,1H3.
What are the key properties of 6-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]pyridin-3-ol?
6-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]pyridin-3-ol has a molecular weight of 299.32 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]pyridin-3-ol is sourced from PubChem (CID 129069905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).