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

C10H8F3NOS — CID 59284141

IUPAC4,6-dimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one
SMILESCc1c(C(F)(F)F)n(C)c2ccsc2c1=O
InChIInChI=1S/C10H8F3NOS/c1-5-7(15)8-6(3-4-16-8)14(2)9(5)10(11,12)13/h3-4H,1-2H3
InChIKeyJRIOZQMPQMQPKV-UHFFFAOYSA-N
MW247.24 g/mol
LogP2.93
Rot. Bonds

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

4,6-dimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one (PubChem CID 59284141) has the molecular formula C10H8F3NOS and a molecular weight of 247.24 g/mol. Its IUPAC name is 4,6-dimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name4,6-dimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one
PubChem CID59284141
Molecular FormulaC10H8F3NOS
Molecular Weight247.24 g/mol
Exact Mass247.03
IUPAC Name4,6-dimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one
SMILESCc1c(C(F)(F)F)n(C)c2ccsc2c1=O
InChIInChI=1S/C10H8F3NOS/c1-5-7(15)8-6(3-4-16-8)14(2)9(5)10(11,12)13/h3-4H,1-2H3
InChIKeyJRIOZQMPQMQPKV-UHFFFAOYSA-N
XLogP2.93
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one?
The IUPAC name of 4,6-dimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one (CID 59284141) is 4,6-dimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 4,6-dimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one?
The canonical SMILES for 4,6-dimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one is Cc1c(C(F)(F)F)n(C)c2ccsc2c1=O.
What is the InChIKey of 4,6-dimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one?
The InChIKey is JRIOZQMPQMQPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NOS/c1-5-7(15)8-6(3-4-16-8)14(2)9(5)10(11,12)13/h3-4H,1-2H3.
What are the key properties of 4,6-dimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one?
4,6-dimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one has a molecular weight of 247.24 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-(trifluoromethyl)thieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 59284141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).