ethyl 7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carboxylate

C17H12F3NO3S — CID 67232853

IUPACethyl 7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1ncc2cc(-c3cccc(C(F)(F)F)c3)sc2c1O
InChIInChI=1S/C17H12F3NO3S/c1-2-24-16(23)13-14(22)15-10(8-21-13)7-12(25-15)9-4-3-5-11(6-9)17(18,19)20/h3-8,22H,2H2,1H3
InChIKeyHYDSEDYVHHBLTI-UHFFFAOYSA-N
MW367.35 g/mol
LogP4.86
Rot. Bonds3

About ethyl 7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carboxylate

ethyl 7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carboxylate (PubChem CID 67232853) has the molecular formula C17H12F3NO3S and a molecular weight of 367.35 g/mol. Its IUPAC name is ethyl 7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carboxylate
PubChem CID67232853
Molecular FormulaC17H12F3NO3S
Molecular Weight367.35 g/mol
Exact Mass367.05
IUPAC Nameethyl 7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1ncc2cc(-c3cccc(C(F)(F)F)c3)sc2c1O
InChIInChI=1S/C17H12F3NO3S/c1-2-24-16(23)13-14(22)15-10(8-21-13)7-12(25-15)9-4-3-5-11(6-9)17(18,19)20/h3-8,22H,2H2,1H3
InChIKeyHYDSEDYVHHBLTI-UHFFFAOYSA-N
XLogP4.86
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carboxylate 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 ethyl 7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carboxylate (CID 67232853) is ethyl 7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carboxylate is CCOC(=O)c1ncc2cc(-c3cccc(C(F)(F)F)c3)sc2c1O.
What is the InChIKey of ethyl 7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carboxylate?
The InChIKey is HYDSEDYVHHBLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO3S/c1-2-24-16(23)13-14(22)15-10(8-21-13)7-12(25-15)9-4-3-5-11(6-9)17(18,19)20/h3-8,22H,2H2,1H3.
What are the key properties of ethyl 7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carboxylate?
ethyl 7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carboxylate has a molecular weight of 367.35 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-hydroxy-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 67232853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).