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

C15H10FNO2S — CID 14277630

IUPAC[2-(4-fluorophenyl)thieno[2,3-b]pyridin-3-yl] acetate
SMILESCC(=O)Oc1c(-c2ccc(F)cc2)sc2ncccc12
InChIInChI=1S/C15H10FNO2S/c1-9(18)19-13-12-3-2-8-17-15(12)20-14(13)10-4-6-11(16)7-5-10/h2-8H,1H3
InChIKeyASOWIQHAPJBWGN-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.03
Rot. Bonds2

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

[2-(4-fluorophenyl)thieno[2,3-b]pyridin-3-yl] acetate (PubChem CID 14277630) has the molecular formula C15H10FNO2S and a molecular weight of 287.32 g/mol. Its IUPAC name is [2-(4-fluorophenyl)thieno[2,3-b]pyridin-3-yl] acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)thieno[2,3-b]pyridin-3-yl] acetate
PubChem CID14277630
Molecular FormulaC15H10FNO2S
Molecular Weight287.32 g/mol
Exact Mass287.04
IUPAC Name[2-(4-fluorophenyl)thieno[2,3-b]pyridin-3-yl] acetate
SMILESCC(=O)Oc1c(-c2ccc(F)cc2)sc2ncccc12
InChIInChI=1S/C15H10FNO2S/c1-9(18)19-13-12-3-2-8-17-15(12)20-14(13)10-4-6-11(16)7-5-10/h2-8H,1H3
InChIKeyASOWIQHAPJBWGN-UHFFFAOYSA-N
XLogP4.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)thieno[2,3-b]pyridin-3-yl] acetate?
The IUPAC name of [2-(4-fluorophenyl)thieno[2,3-b]pyridin-3-yl] acetate (CID 14277630) is [2-(4-fluorophenyl)thieno[2,3-b]pyridin-3-yl] acetate.
What is the SMILES notation for [2-(4-fluorophenyl)thieno[2,3-b]pyridin-3-yl] acetate?
The canonical SMILES for [2-(4-fluorophenyl)thieno[2,3-b]pyridin-3-yl] acetate is CC(=O)Oc1c(-c2ccc(F)cc2)sc2ncccc12.
What is the InChIKey of [2-(4-fluorophenyl)thieno[2,3-b]pyridin-3-yl] acetate?
The InChIKey is ASOWIQHAPJBWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2S/c1-9(18)19-13-12-3-2-8-17-15(12)20-14(13)10-4-6-11(16)7-5-10/h2-8H,1H3.
What are the key properties of [2-(4-fluorophenyl)thieno[2,3-b]pyridin-3-yl] acetate?
[2-(4-fluorophenyl)thieno[2,3-b]pyridin-3-yl] acetate has a molecular weight of 287.32 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)thieno[2,3-b]pyridin-3-yl] acetate is sourced from PubChem (CID 14277630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).