7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one

C8H4F3NOS — CID 168966904

IUPAC7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one
SMILESO=c1cc(C(F)(F)F)c2sccc2[nH]1
InChIInChI=1S/C8H4F3NOS/c9-8(10,11)4-3-6(13)12-5-1-2-14-7(4)5/h1-3H,(H,12,13)
InChIKeyREHXAONAMKWXFC-UHFFFAOYSA-N
MW219.19 g/mol
LogP2.61
Rot. Bonds

About 7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one

7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 168966904) has the molecular formula C8H4F3NOS and a molecular weight of 219.19 g/mol. Its IUPAC name is 7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one
PubChem CID168966904
Molecular FormulaC8H4F3NOS
Molecular Weight219.19 g/mol
Exact Mass219.00
IUPAC Name7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one
SMILESO=c1cc(C(F)(F)F)c2sccc2[nH]1
InChIInChI=1S/C8H4F3NOS/c9-8(10,11)4-3-6(13)12-5-1-2-14-7(4)5/h1-3H,(H,12,13)
InChIKeyREHXAONAMKWXFC-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 7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-4H-thieno[3,2-b]pyridin-5-one
CID 154953939
4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one
CID 168966863
7-(propan-2-ylamino)-4H-thieno[3,2-b]pyridin-5-one;hydrochloride
CID 175780387
6-[2-(trifluoromethyl)phenyl]sulfanyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 11588177
6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane
CID 142046924
6-bromo-5-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
CID 21094385
methyl 5-oxo-7-(trifluoromethyl)-4H-thieno[3,2-b]pyridine-3-carboxylate
CID 2808485
4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one
CID 8006551
6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279021
4-sulfanylidene-1H-thieno[3,2-d]pyrimidin-2-one
CID 119093676
6-amino-7-hydroxy-4-(trifluoromethyl)-1H-quinolin-2-one
CID 18008402
6-diazenyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 85063749

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one (CID 168966904) is 7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one is O=c1cc(C(F)(F)F)c2sccc2[nH]1.
What is the InChIKey of 7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is REHXAONAMKWXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NOS/c9-8(10,11)4-3-6(13)12-5-1-2-14-7(4)5/h1-3H,(H,12,13).
What are the key properties of 7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one?
7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-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 7-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 168966904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).