3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid

C16H10F3NO2S — CID 139916056

IUPAC3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid
SMILESCc1c(C(=O)O)sc2cncc(-c3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C16H10F3NO2S/c1-8-13-11(6-20-7-12(13)23-14(8)15(21)22)9-2-4-10(5-3-9)16(17,18)19/h2-7H,1H3,(H,21,22)
InChIKeyKKODDXIQTJXVKI-UHFFFAOYSA-N
MW337.32 g/mol
LogP4.99
Rot. Bonds2

About 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid

3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 139916056) has the molecular formula C16H10F3NO2S and a molecular weight of 337.32 g/mol. Its IUPAC name is 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID139916056
Molecular FormulaC16H10F3NO2S
Molecular Weight337.32 g/mol
Exact Mass337.04
IUPAC Name3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid
SMILESCc1c(C(=O)O)sc2cncc(-c3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C16H10F3NO2S/c1-8-13-11(6-20-7-12(13)23-14(8)15(21)22)9-2-4-10(5-3-9)16(17,18)19/h2-7H,1H3,(H,21,22)
InChIKeyKKODDXIQTJXVKI-UHFFFAOYSA-N
XLogP4.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid 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 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid (CID 139916056) is 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid is Cc1c(C(=O)O)sc2cncc(-c3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is KKODDXIQTJXVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2S/c1-8-13-11(6-20-7-12(13)23-14(8)15(21)22)9-2-4-10(5-3-9)16(17,18)19/h2-7H,1H3,(H,21,22).
What are the key properties of 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid?
3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 337.32 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 139916056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).