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

C11H10F3NOS — CID 59284288

IUPAC2,5,7-trimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-4-one
SMILESCc1cc2c(=O)c(C)c(C(F)(F)F)n(C)c2s1
InChIInChI=1S/C11H10F3NOS/c1-5-4-7-8(16)6(2)9(11(12,13)14)15(3)10(7)17-5/h4H,1-3H3
InChIKeyIREKEQJRMAMUKT-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.24
Rot. Bonds

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

2,5,7-trimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-4-one (PubChem CID 59284288) has the molecular formula C11H10F3NOS and a molecular weight of 261.27 g/mol. Its IUPAC name is 2,5,7-trimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name2,5,7-trimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-4-one
PubChem CID59284288
Molecular FormulaC11H10F3NOS
Molecular Weight261.27 g/mol
Exact Mass261.04
IUPAC Name2,5,7-trimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-4-one
SMILESCc1cc2c(=O)c(C)c(C(F)(F)F)n(C)c2s1
InChIInChI=1S/C11H10F3NOS/c1-5-4-7-8(16)6(2)9(11(12,13)14)15(3)10(7)17-5/h4H,1-3H3
InChIKeyIREKEQJRMAMUKT-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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Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-4-one?
The IUPAC name of 2,5,7-trimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-4-one (CID 59284288) is 2,5,7-trimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-4-one.
What is the SMILES notation for 2,5,7-trimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-4-one?
The canonical SMILES for 2,5,7-trimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-4-one is Cc1cc2c(=O)c(C)c(C(F)(F)F)n(C)c2s1.
What is the InChIKey of 2,5,7-trimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-4-one?
The InChIKey is IREKEQJRMAMUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NOS/c1-5-4-7-8(16)6(2)9(11(12,13)14)15(3)10(7)17-5/h4H,1-3H3.
What are the key properties of 2,5,7-trimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-4-one?
2,5,7-trimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-4-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 2,5,7-trimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-4-one is sourced from PubChem (CID 59284288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).