4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol

C19H14FNOS — CID 118903742

IUPAC4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol
SMILESOCCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H14FNOS/c20-16-6-4-15(5-7-16)19-18(14-8-10-21-11-9-14)13-17(23-19)3-1-2-12-22/h4-11,13,22H,2,12H2
InChIKeyFLHFXRUKORJROY-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.35
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol

4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol (PubChem CID 118903742) has the molecular formula C19H14FNOS and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol
PubChem CID118903742
Molecular FormulaC19H14FNOS
Molecular Weight323.39 g/mol
Exact Mass323.08
IUPAC Name4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol
SMILESOCCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H14FNOS/c20-16-6-4-15(5-7-16)19-18(14-8-10-21-11-9-14)13-17(23-19)3-1-2-12-22/h4-11,13,22H,2,12H2
InChIKeyFLHFXRUKORJROY-UHFFFAOYSA-N
XLogP4.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol 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 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol?
The IUPAC name of 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol (CID 118903742) is 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol?
The canonical SMILES for 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol is OCCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol?
The InChIKey is FLHFXRUKORJROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNOS/c20-16-6-4-15(5-7-16)19-18(14-8-10-21-11-9-14)13-17(23-19)3-1-2-12-22/h4-11,13,22H,2,12H2.
What are the key properties of 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol?
4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol has a molecular weight of 323.39 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol is sourced from PubChem (CID 118903742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).