3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-c]pyridin-7-yl]oxybenzonitrile

C20H10F2N2OS — CID 24996557

IUPAC3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-c]pyridin-7-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2nc(-c3ccc(F)cc3)cc3ccsc23)c(F)c1
InChIInChI=1S/C20H10F2N2OS/c21-15-4-2-13(3-5-15)17-10-14-7-8-26-19(14)20(24-17)25-18-6-1-12(11-23)9-16(18)22/h1-10H
InChIKeyALTQEZPOOSJKLU-UHFFFAOYSA-N
MW364.38 g/mol
LogP5.91
Rot. Bonds3

About 3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-c]pyridin-7-yl]oxybenzonitrile

3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-c]pyridin-7-yl]oxybenzonitrile (PubChem CID 24996557) has the molecular formula C20H10F2N2OS and a molecular weight of 364.38 g/mol. Its IUPAC name is 3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-c]pyridin-7-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-c]pyridin-7-yl]oxybenzonitrile
PubChem CID24996557
Molecular FormulaC20H10F2N2OS
Molecular Weight364.38 g/mol
Exact Mass364.05
IUPAC Name3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-c]pyridin-7-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2nc(-c3ccc(F)cc3)cc3ccsc23)c(F)c1
InChIInChI=1S/C20H10F2N2OS/c21-15-4-2-13(3-5-15)17-10-14-7-8-26-19(14)20(24-17)25-18-6-1-12(11-23)9-16(18)22/h1-10H
InChIKeyALTQEZPOOSJKLU-UHFFFAOYSA-N
XLogP5.91
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.38
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-c]pyridin-7-yl]oxybenzonitrile?
The IUPAC name of 3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-c]pyridin-7-yl]oxybenzonitrile (CID 24996557) is 3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-c]pyridin-7-yl]oxybenzonitrile.
What is the SMILES notation for 3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-c]pyridin-7-yl]oxybenzonitrile?
The canonical SMILES for 3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-c]pyridin-7-yl]oxybenzonitrile is N#Cc1ccc(Oc2nc(-c3ccc(F)cc3)cc3ccsc23)c(F)c1.
What is the InChIKey of 3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-c]pyridin-7-yl]oxybenzonitrile?
The InChIKey is ALTQEZPOOSJKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F2N2OS/c21-15-4-2-13(3-5-15)17-10-14-7-8-26-19(14)20(24-17)25-18-6-1-12(11-23)9-16(18)22/h1-10H.
What are the key properties of 3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-c]pyridin-7-yl]oxybenzonitrile?
3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-c]pyridin-7-yl]oxybenzonitrile has a molecular weight of 364.38 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[5-(4-fluorophenyl)thieno[2,3-c]pyridin-7-yl]oxybenzonitrile is sourced from PubChem (CID 24996557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).