[2-(4-fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol

C20H14FNO2S — CID 58463362

IUPAC[2-(4-fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2cccs2)coc1-c1ccc(F)cc1
InChIInChI=1S/C20H14FNO2S/c21-15-7-5-13(6-8-15)20-18(19(23)14-3-1-9-22-11-14)16(12-24-20)17-4-2-10-25-17/h1-12,19,23H
InChIKeyIUNCUUKGBBUFEO-UHFFFAOYSA-N
MW351.40 g/mol
LogP5.29
Rot. Bonds4

About [2-(4-fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol

[2-(4-fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol (PubChem CID 58463362) has the molecular formula C20H14FNO2S and a molecular weight of 351.40 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol
PubChem CID58463362
Molecular FormulaC20H14FNO2S
Molecular Weight351.40 g/mol
Exact Mass351.07
IUPAC Name[2-(4-fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2cccs2)coc1-c1ccc(F)cc1
InChIInChI=1S/C20H14FNO2S/c21-15-7-5-13(6-8-15)20-18(19(23)14-3-1-9-22-11-14)16(12-24-20)17-4-2-10-25-17/h1-12,19,23H
InChIKeyIUNCUUKGBBUFEO-UHFFFAOYSA-N
XLogP5.29
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.40
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol 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-(4-fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [2-(4-fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol (CID 58463362) is [2-(4-fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [2-(4-fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [2-(4-fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2cccs2)coc1-c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol?
The InChIKey is IUNCUUKGBBUFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO2S/c21-15-7-5-13(6-8-15)20-18(19(23)14-3-1-9-22-11-14)16(12-24-20)17-4-2-10-25-17/h1-12,19,23H.
What are the key properties of [2-(4-fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol?
[2-(4-fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol has a molecular weight of 351.40 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 58463362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).