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

C13H14F3NOS — CID 69094798

IUPAC2-pentyl-3-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one
SMILESCCCCCc1sc2c(=O)cc[nH]c2c1C(F)(F)F
InChIInChI=1S/C13H14F3NOS/c1-2-3-4-5-9-10(13(14,15)16)11-12(19-9)8(18)6-7-17-11/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyVVYLLLMOHCAFOR-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.34
Rot. Bonds4

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

2-pentyl-3-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one (PubChem CID 69094798) has the molecular formula C13H14F3NOS and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-pentyl-3-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name2-pentyl-3-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one
PubChem CID69094798
Molecular FormulaC13H14F3NOS
Molecular Weight289.32 g/mol
Exact Mass289.07
IUPAC Name2-pentyl-3-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one
SMILESCCCCCc1sc2c(=O)cc[nH]c2c1C(F)(F)F
InChIInChI=1S/C13H14F3NOS/c1-2-3-4-5-9-10(13(14,15)16)11-12(19-9)8(18)6-7-17-11/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyVVYLLLMOHCAFOR-UHFFFAOYSA-N
XLogP4.34
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-pentyl-3-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-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 2-pentyl-3-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one?
The IUPAC name of 2-pentyl-3-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one (CID 69094798) is 2-pentyl-3-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 2-pentyl-3-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one?
The canonical SMILES for 2-pentyl-3-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one is CCCCCc1sc2c(=O)cc[nH]c2c1C(F)(F)F.
What is the InChIKey of 2-pentyl-3-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one?
The InChIKey is VVYLLLMOHCAFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NOS/c1-2-3-4-5-9-10(13(14,15)16)11-12(19-9)8(18)6-7-17-11/h6-7H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-pentyl-3-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one?
2-pentyl-3-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one has a molecular weight of 289.32 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-3-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 69094798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).