6-phenyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid

C15H8F3NO2S — CID 70113975

IUPAC6-phenyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ncc(-c3ccccc3)c(C(F)(F)F)c2s1
InChIInChI=1S/C15H8F3NO2S/c16-15(17,18)12-9(8-4-2-1-3-5-8)7-19-10-6-11(14(20)21)22-13(10)12/h1-7H,(H,20,21)
InChIKeyVPJBYXRAKAOQID-UHFFFAOYSA-N
MW323.30 g/mol
LogP4.68
Rot. Bonds2

About 6-phenyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid

6-phenyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 70113975) has the molecular formula C15H8F3NO2S and a molecular weight of 323.30 g/mol. Its IUPAC name is 6-phenyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-phenyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
PubChem CID70113975
Molecular FormulaC15H8F3NO2S
Molecular Weight323.30 g/mol
Exact Mass323.02
IUPAC Name6-phenyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ncc(-c3ccccc3)c(C(F)(F)F)c2s1
InChIInChI=1S/C15H8F3NO2S/c16-15(17,18)12-9(8-4-2-1-3-5-8)7-19-10-6-11(14(20)21)22-13(10)12/h1-7H,(H,20,21)
InChIKeyVPJBYXRAKAOQID-UHFFFAOYSA-N
XLogP4.68
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-phenyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid (CID 70113975) is 6-phenyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-phenyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-phenyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid is O=C(O)c1cc2ncc(-c3ccccc3)c(C(F)(F)F)c2s1.
What is the InChIKey of 6-phenyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is VPJBYXRAKAOQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO2S/c16-15(17,18)12-9(8-4-2-1-3-5-8)7-19-10-6-11(14(20)21)22-13(10)12/h1-7H,(H,20,21).
What are the key properties of 6-phenyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid?
6-phenyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 323.30 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 70113975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).