2,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one

C11H10F3NOS — CID 59284276

IUPAC2,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one
SMILESCc1cc2c(s1)c(=O)c(C)c(C(F)(F)F)n2C
InChIInChI=1S/C11H10F3NOS/c1-5-4-7-9(17-5)8(16)6(2)10(15(7)3)11(12,13)14/h4H,1-3H3
InChIKeyNJXHLCHYOBIRDZ-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.24
Rot. Bonds

About 2,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one

2,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one (PubChem CID 59284276) has the molecular formula C11H10F3NOS and a molecular weight of 261.27 g/mol. Its IUPAC name is 2,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name2,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one
PubChem CID59284276
Molecular FormulaC11H10F3NOS
Molecular Weight261.27 g/mol
Exact Mass261.04
IUPAC Name2,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one
SMILESCc1cc2c(s1)c(=O)c(C)c(C(F)(F)F)n2C
InChIInChI=1S/C11H10F3NOS/c1-5-4-7-9(17-5)8(16)6(2)10(15(7)3)11(12,13)14/h4H,1-3H3
InChIKeyNJXHLCHYOBIRDZ-UHFFFAOYSA-N
XLogP3.24
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,6-Trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one
CID 59284105
4,6-Dimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one
CID 59284141
2,4,6-Trimethyl-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-one
CID 59284189
2,5,7-Trimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-4-one
CID 59284288
2-(1,1,1-trifluorohexan-2-yl)-4H-thieno[3,2-b]pyridin-7-one
CID 69094796
6-(6,6,6-trifluorohexyl)-4H-thieno[3,2-b]pyridin-7-one
CID 69094797
Dimethyl-phenyl-[[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]methyl]azanium
CID 90698567
2-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one
CID 176384768
6-methyl-5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one
CID 66350434
1-[3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone
CID 103422799
1-[3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one
CID 103422851
1-[3-Amino-5-[methyl(2,2,2-trifluoroethyl)amino]thiophen-2-yl]propan-1-one
CID 103509432

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one?
The IUPAC name of 2,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one (CID 59284276) is 2,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 2,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one?
The canonical SMILES for 2,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one is Cc1cc2c(s1)c(=O)c(C)c(C(F)(F)F)n2C.
What is the InChIKey of 2,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one?
The InChIKey is NJXHLCHYOBIRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NOS/c1-5-4-7-9(17-5)8(16)6(2)10(15(7)3)11(12,13)14/h4H,1-3H3.
What are the key properties of 2,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one?
2,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one has a molecular weight of 261.27 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 59284276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).