5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one

C15H10FNO2S — CID 115912066

IUPAC5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
SMILESO=C(Cn1ccc2sccc2c1=O)c1cccc(F)c1
InChIInChI=1S/C15H10FNO2S/c16-11-3-1-2-10(8-11)13(18)9-17-6-4-14-12(15(17)19)5-7-20-14/h1-8H,9H2
InChIKeyXXYSFNJBAISXKT-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.09
Rot. Bonds3

About 5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one

5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one (PubChem CID 115912066) has the molecular formula C15H10FNO2S and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
PubChem CID115912066
Molecular FormulaC15H10FNO2S
Molecular Weight287.32 g/mol
Exact Mass287.04
IUPAC Name5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
SMILESO=C(Cn1ccc2sccc2c1=O)c1cccc(F)c1
InChIInChI=1S/C15H10FNO2S/c16-11-3-1-2-10(8-11)13(18)9-17-6-4-14-12(15(17)19)5-7-20-14/h1-8H,9H2
InChIKeyXXYSFNJBAISXKT-UHFFFAOYSA-N
XLogP3.09
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396043
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115886517
3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one
CID 114760623
3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 115886525
N-(3-aminophenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115912011
2-(5-fluoroindol-1-yl)-1-(3-fluorophenyl)ethanone
CID 63851474
5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 115886559
5-[(2-chloro-3-fluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985928
N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396068
5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one
CID 112557081
3-[2-(3-fluorophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 62024519
1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797893

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one (CID 115912066) is 5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one is O=C(Cn1ccc2sccc2c1=O)c1cccc(F)c1.
What is the InChIKey of 5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is XXYSFNJBAISXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2S/c16-11-3-1-2-10(8-11)13(18)9-17-6-4-14-12(15(17)19)5-7-20-14/h1-8H,9H2.
What are the key properties of 5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one?
5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 287.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 115912066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).