[2-(3,5-difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol

C20H13F2NO2S — CID 58463352

IUPAC[2-(3,5-difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2cccs2)coc1-c1cc(F)cc(F)c1
InChIInChI=1S/C20H13F2NO2S/c21-14-7-13(8-15(22)9-14)20-18(19(24)12-3-1-5-23-10-12)16(11-25-20)17-4-2-6-26-17/h1-11,19,24H
InChIKeyLXDGVFSPKWDEMP-UHFFFAOYSA-N
MW369.39 g/mol
LogP5.43
Rot. Bonds4

About [2-(3,5-difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol

[2-(3,5-difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol (PubChem CID 58463352) has the molecular formula C20H13F2NO2S and a molecular weight of 369.39 g/mol. Its IUPAC name is [2-(3,5-difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[2-(3,5-difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol
PubChem CID58463352
Molecular FormulaC20H13F2NO2S
Molecular Weight369.39 g/mol
Exact Mass369.06
IUPAC Name[2-(3,5-difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2cccs2)coc1-c1cc(F)cc(F)c1
InChIInChI=1S/C20H13F2NO2S/c21-14-7-13(8-15(22)9-14)20-18(19(24)12-3-1-5-23-10-12)16(11-25-20)17-4-2-6-26-17/h1-11,19,24H
InChIKeyLXDGVFSPKWDEMP-UHFFFAOYSA-N
XLogP5.43
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.39
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [2-(3,5-difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol (CID 58463352) is [2-(3,5-difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [2-(3,5-difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [2-(3,5-difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2cccs2)coc1-c1cc(F)cc(F)c1.
What is the InChIKey of [2-(3,5-difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol?
The InChIKey is LXDGVFSPKWDEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2NO2S/c21-14-7-13(8-15(22)9-14)20-18(19(24)12-3-1-5-23-10-12)16(11-25-20)17-4-2-6-26-17/h1-11,19,24H.
What are the key properties of [2-(3,5-difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol?
[2-(3,5-difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol has a molecular weight of 369.39 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 58463352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).