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

C11H10F3NOS — CID 59284105

IUPAC3,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one
SMILESCc1c(C(F)(F)F)n(C)c2c(C)csc2c1=O
InChIInChI=1S/C11H10F3NOS/c1-5-4-17-9-7(5)15(3)10(11(12,13)14)6(2)8(9)16/h4H,1-3H3
InChIKeyCPIQHDGQZAXTOU-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.24
Rot. Bonds

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

3,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one (PubChem CID 59284105) has the molecular formula C11H10F3NOS and a molecular weight of 261.27 g/mol. Its IUPAC name is 3,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name3,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one
PubChem CID59284105
Molecular FormulaC11H10F3NOS
Molecular Weight261.27 g/mol
Exact Mass261.04
IUPAC Name3,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one
SMILESCc1c(C(F)(F)F)n(C)c2c(C)csc2c1=O
InChIInChI=1S/C11H10F3NOS/c1-5-4-17-9-7(5)15(3)10(11(12,13)14)6(2)8(9)16/h4H,1-3H3
InChIKeyCPIQHDGQZAXTOU-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 3,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one?
The IUPAC name of 3,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one (CID 59284105) is 3,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 3,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one?
The canonical SMILES for 3,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one is Cc1c(C(F)(F)F)n(C)c2c(C)csc2c1=O.
What is the InChIKey of 3,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one?
The InChIKey is CPIQHDGQZAXTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NOS/c1-5-4-17-9-7(5)15(3)10(11(12,13)14)6(2)8(9)16/h4H,1-3H3.
What are the key properties of 3,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one?
3,4,6-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 3,4,6-trimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 59284105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).