2,3,5,6-tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine

C20H9F5N2S — CID 118911846

IUPAC2,3,5,6-tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine
SMILESFc1ccc(-c2sc(-c3c(F)c(F)nc(F)c3F)cc2-c2ccncc2)cc1
InChIInChI=1S/C20H9F5N2S/c21-12-3-1-11(2-4-12)18-13(10-5-7-26-8-6-10)9-14(28-18)15-16(22)19(24)27-20(25)17(15)23/h1-9H
InChIKeyJCVOSTKYAWGSOJ-UHFFFAOYSA-N
MW404.36 g/mol
LogP6.23
Rot. Bonds3

About 2,3,5,6-tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine

2,3,5,6-tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine (PubChem CID 118911846) has the molecular formula C20H9F5N2S and a molecular weight of 404.36 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine
PubChem CID118911846
Molecular FormulaC20H9F5N2S
Molecular Weight404.36 g/mol
Exact Mass404.04
IUPAC Name2,3,5,6-tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine
SMILESFc1ccc(-c2sc(-c3c(F)c(F)nc(F)c3F)cc2-c2ccncc2)cc1
InChIInChI=1S/C20H9F5N2S/c21-12-3-1-11(2-4-12)18-13(10-5-7-26-8-6-10)9-14(28-18)15-16(22)19(24)27-20(25)17(15)23/h1-9H
InChIKeyJCVOSTKYAWGSOJ-UHFFFAOYSA-N
XLogP6.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.36
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,3,5,6-tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine (CID 118911846) is 2,3,5,6-tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine is Fc1ccc(-c2sc(-c3c(F)c(F)nc(F)c3F)cc2-c2ccncc2)cc1.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine?
The InChIKey is JCVOSTKYAWGSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9F5N2S/c21-12-3-1-11(2-4-12)18-13(10-5-7-26-8-6-10)9-14(28-18)15-16(22)19(24)27-20(25)17(15)23/h1-9H.
What are the key properties of 2,3,5,6-tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine?
2,3,5,6-tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine has a molecular weight of 404.36 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine is sourced from PubChem (CID 118911846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).