2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]ethanone

C21H13F2NOS — CID 23585263

IUPAC2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H13F2NOS/c22-15-7-3-13(4-8-15)12-18(25)20-19(14-5-9-16(23)10-6-14)17-2-1-11-24-21(17)26-20/h1-11H,12H2
InChIKeyAESHPDOJWHYGAD-UHFFFAOYSA-N
MW365.40 g/mol
LogP5.67
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]ethanone

2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]ethanone (PubChem CID 23585263) has the molecular formula C21H13F2NOS and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]ethanone
PubChem CID23585263
Molecular FormulaC21H13F2NOS
Molecular Weight365.40 g/mol
Exact Mass365.07
IUPAC Name2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H13F2NOS/c22-15-7-3-13(4-8-15)12-18(25)20-19(14-5-9-16(23)10-6-14)17-2-1-11-24-21(17)26-20/h1-11H,12H2
InChIKeyAESHPDOJWHYGAD-UHFFFAOYSA-N
XLogP5.67
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.40
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]ethanone (CID 23585263) is 2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]ethanone is O=C(Cc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]ethanone?
The InChIKey is AESHPDOJWHYGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2NOS/c22-15-7-3-13(4-8-15)12-18(25)20-19(14-5-9-16(23)10-6-14)17-2-1-11-24-21(17)26-20/h1-11H,12H2.
What are the key properties of 2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]ethanone?
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]ethanone has a molecular weight of 365.40 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]ethanone is sourced from PubChem (CID 23585263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).