3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid

C14H8F3NO2S2 — CID 3822447

IUPAC3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1c(C(=O)O)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C14H8F3NO2S2/c1-6-10-7(14(15,16)17)5-8(9-3-2-4-21-9)18-12(10)22-11(6)13(19)20/h2-5H,1H3,(H,19,20)
InChIKeyTWXKFVFBNXJAPT-UHFFFAOYSA-N
MW343.35 g/mol
LogP5.05
Rot. Bonds2

About 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid

3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 3822447) has the molecular formula C14H8F3NO2S2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID3822447
Molecular FormulaC14H8F3NO2S2
Molecular Weight343.35 g/mol
Exact Mass342.99
IUPAC Name3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1c(C(=O)O)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C14H8F3NO2S2/c1-6-10-7(14(15,16)17)5-8(9-3-2-4-21-9)18-12(10)22-11(6)13(19)20/h2-5H,1H3,(H,19,20)
InChIKeyTWXKFVFBNXJAPT-UHFFFAOYSA-N
XLogP5.05
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.35
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid (CID 3822447) is 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid is Cc1c(C(=O)O)sc2nc(-c3cccs3)cc(C(F)(F)F)c12.
What is the InChIKey of 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is TWXKFVFBNXJAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO2S2/c1-6-10-7(14(15,16)17)5-8(9-3-2-4-21-9)18-12(10)22-11(6)13(19)20/h2-5H,1H3,(H,19,20).
What are the key properties of 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 343.35 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 3822447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).