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

C9H6F3NOS — CID 66350434

IUPAC6-methyl-5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one
SMILESCc1c(C(F)(F)F)[nH]c2ccsc2c1=O
InChIInChI=1S/C9H6F3NOS/c1-4-6(14)7-5(2-3-15-7)13-8(4)9(10,11)12/h2-3H,1H3,(H,13,14)
InChIKeyFNQAIPXHJVZTSG-UHFFFAOYSA-N
MW233.21 g/mol
LogP2.92
Rot. Bonds

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

6-methyl-5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one (PubChem CID 66350434) has the molecular formula C9H6F3NOS and a molecular weight of 233.21 g/mol. Its IUPAC name is 6-methyl-5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name6-methyl-5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one
PubChem CID66350434
Molecular FormulaC9H6F3NOS
Molecular Weight233.21 g/mol
Exact Mass233.01
IUPAC Name6-methyl-5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one
SMILESCc1c(C(F)(F)F)[nH]c2ccsc2c1=O
InChIInChI=1S/C9H6F3NOS/c1-4-6(14)7-5(2-3-15-7)13-8(4)9(10,11)12/h2-3H,1H3,(H,13,14)
InChIKeyFNQAIPXHJVZTSG-UHFFFAOYSA-N
XLogP2.92
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one?
The IUPAC name of 6-methyl-5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one (CID 66350434) is 6-methyl-5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 6-methyl-5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one?
The canonical SMILES for 6-methyl-5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one is Cc1c(C(F)(F)F)[nH]c2ccsc2c1=O.
What is the InChIKey of 6-methyl-5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one?
The InChIKey is FNQAIPXHJVZTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NOS/c1-4-6(14)7-5(2-3-15-7)13-8(4)9(10,11)12/h2-3H,1H3,(H,13,14).
What are the key properties of 6-methyl-5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one?
6-methyl-5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one has a molecular weight of 233.21 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 66350434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).