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

C11H10F3NOS — CID 59284189

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

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

2,4,6-trimethyl-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-one (PubChem CID 59284189) has the molecular formula C11H10F3NOS and a molecular weight of 261.27 g/mol. Its IUPAC name is 2,4,6-trimethyl-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name2,4,6-trimethyl-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-one
PubChem CID59284189
Molecular FormulaC11H10F3NOS
Molecular Weight261.27 g/mol
Exact Mass261.04
IUPAC Name2,4,6-trimethyl-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-one
SMILESCc1cc2c(s1)c(C(F)(F)F)c(C)c(=O)n2C
InChIInChI=1S/C11H10F3NOS/c1-5-4-7-9(17-5)8(11(12,13)14)6(2)10(16)15(7)3/h4H,1-3H3
InChIKeyGRLQPFDVOYAXRY-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 2,4,6-trimethyl-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-one?
The IUPAC name of 2,4,6-trimethyl-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-one (CID 59284189) is 2,4,6-trimethyl-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 2,4,6-trimethyl-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 2,4,6-trimethyl-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-one is Cc1cc2c(s1)c(C(F)(F)F)c(C)c(=O)n2C.
What is the InChIKey of 2,4,6-trimethyl-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-one?
The InChIKey is GRLQPFDVOYAXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NOS/c1-5-4-7-9(17-5)8(11(12,13)14)6(2)10(16)15(7)3/h4H,1-3H3.
What are the key properties of 2,4,6-trimethyl-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-one?
2,4,6-trimethyl-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-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-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 59284189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).