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

C8H4F3NOS — CID 66353058

IUPAC5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one
SMILESO=c1cc(C(F)(F)F)[nH]c2ccsc12
InChIInChI=1S/C8H4F3NOS/c9-8(10,11)6-3-5(13)7-4(12-6)1-2-14-7/h1-3H,(H,12,13)
InChIKeyKKHRSGZGBMKHPM-UHFFFAOYSA-N
MW219.19 g/mol
LogP2.61
Rot. Bonds

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

5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one (PubChem CID 66353058) has the molecular formula C8H4F3NOS and a molecular weight of 219.19 g/mol. Its IUPAC name is 5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one
PubChem CID66353058
Molecular FormulaC8H4F3NOS
Molecular Weight219.19 g/mol
Exact Mass219.00
IUPAC Name5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one
SMILESO=c1cc(C(F)(F)F)[nH]c2ccsc12
InChIInChI=1S/C8H4F3NOS/c9-8(10,11)6-3-5(13)7-4(12-6)1-2-14-7/h1-3H,(H,12,13)
InChIKeyKKHRSGZGBMKHPM-UHFFFAOYSA-N
XLogP2.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one?
The IUPAC name of 5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one (CID 66353058) is 5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one?
The canonical SMILES for 5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one is O=c1cc(C(F)(F)F)[nH]c2ccsc12.
What is the InChIKey of 5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one?
The InChIKey is KKHRSGZGBMKHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NOS/c9-8(10,11)6-3-5(13)7-4(12-6)1-2-14-7/h1-3H,(H,12,13).
What are the key properties of 5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one?
5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one has a molecular weight of 219.19 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 66353058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).