4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one

C8H4F3NOS — CID 168966863

IUPAC4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1cc(C(F)(F)F)c2ccsc2[nH]1
InChIInChI=1S/C8H4F3NOS/c9-8(10,11)5-3-6(13)12-7-4(5)1-2-14-7/h1-3H,(H,12,13)
InChIKeyGWIPIBXNFLIIPV-UHFFFAOYSA-N
MW219.19 g/mol
LogP2.61
Rot. Bonds

About 4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one

4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 168966863) has the molecular formula C8H4F3NOS and a molecular weight of 219.19 g/mol. Its IUPAC name is 4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one
PubChem CID168966863
Molecular FormulaC8H4F3NOS
Molecular Weight219.19 g/mol
Exact Mass219.00
IUPAC Name4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1cc(C(F)(F)F)c2ccsc2[nH]1
InChIInChI=1S/C8H4F3NOS/c9-8(10,11)5-3-6(13)12-7-4(5)1-2-14-7/h1-3H,(H,12,13)
InChIKeyGWIPIBXNFLIIPV-UHFFFAOYSA-N
XLogP2.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one 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 4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one (CID 168966863) is 4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one is O=c1cc(C(F)(F)F)c2ccsc2[nH]1.
What is the InChIKey of 4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is GWIPIBXNFLIIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NOS/c9-8(10,11)5-3-6(13)12-7-4(5)1-2-14-7/h1-3H,(H,12,13).
What are the key properties of 4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one?
4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 219.19 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 168966863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).