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

C20H13F2NO2S — CID 58463337

IUPAC[4-(2,4-difluorophenyl)-2-thiophen-3-ylfuran-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(F)cc2F)coc1-c1ccsc1
InChIInChI=1S/C20H13F2NO2S/c21-14-3-4-15(17(22)8-14)16-10-25-20(13-5-7-26-11-13)18(16)19(24)12-2-1-6-23-9-12/h1-11,19,24H
InChIKeyUCGQGMLFBPNMLH-UHFFFAOYSA-N
MW369.39 g/mol
LogP5.43
Rot. Bonds4

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

[4-(2,4-difluorophenyl)-2-thiophen-3-ylfuran-3-yl]-pyridin-3-ylmethanol (PubChem CID 58463337) has the molecular formula C20H13F2NO2S and a molecular weight of 369.39 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)-2-thiophen-3-ylfuran-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)-2-thiophen-3-ylfuran-3-yl]-pyridin-3-ylmethanol
PubChem CID58463337
Molecular FormulaC20H13F2NO2S
Molecular Weight369.39 g/mol
Exact Mass369.06
IUPAC Name[4-(2,4-difluorophenyl)-2-thiophen-3-ylfuran-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccc(F)cc2F)coc1-c1ccsc1
InChIInChI=1S/C20H13F2NO2S/c21-14-3-4-15(17(22)8-14)16-10-25-20(13-5-7-26-11-13)18(16)19(24)12-2-1-6-23-9-12/h1-11,19,24H
InChIKeyUCGQGMLFBPNMLH-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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Related Compounds

4-[2-(4-Fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine
CID 118903766
[5-(4-Fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone
CID 118911854
3-(6-Methoxy-3-pyridinyl)-2-thiophen-3-yl-4,5,6,7-tetrahydro-1-benzofuran-4-ol
CID 53301535
1-[2-(2,5-Difluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone
CID 12112789
[4-(5-Chlorofuran-2-yl)-2-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24745422
2-[2-(3-Fluorophenyl)-2-oxoethyl]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid
CID 58337804
[4-(4-Chloro-2-fluorophenyl)-2-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol
CID 58463333
[4-(4-Chloro-2-fluorophenyl)-2-thiophen-3-ylfuran-3-yl]-pyridin-3-ylmethanol
CID 58463334
[4-(4-Chloro-2-fluorophenyl)-2-(2-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463343
[2-(3,5-Difluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol
CID 58463352
[4-(5-Chlorothiophen-2-yl)-2-(2-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463355
[2-(4-Fluorophenyl)-4-thiophen-2-ylfuran-3-yl]-pyridin-3-ylmethanol
CID 58463362

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)-2-thiophen-3-ylfuran-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [4-(2,4-difluorophenyl)-2-thiophen-3-ylfuran-3-yl]-pyridin-3-ylmethanol (CID 58463337) is [4-(2,4-difluorophenyl)-2-thiophen-3-ylfuran-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [4-(2,4-difluorophenyl)-2-thiophen-3-ylfuran-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [4-(2,4-difluorophenyl)-2-thiophen-3-ylfuran-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccc(F)cc2F)coc1-c1ccsc1.
What is the InChIKey of [4-(2,4-difluorophenyl)-2-thiophen-3-ylfuran-3-yl]-pyridin-3-ylmethanol?
The InChIKey is UCGQGMLFBPNMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2NO2S/c21-14-3-4-15(17(22)8-14)16-10-25-20(13-5-7-26-11-13)18(16)19(24)12-2-1-6-23-9-12/h1-11,19,24H.
What are the key properties of [4-(2,4-difluorophenyl)-2-thiophen-3-ylfuran-3-yl]-pyridin-3-ylmethanol?
[4-(2,4-difluorophenyl)-2-thiophen-3-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 [4-(2,4-difluorophenyl)-2-thiophen-3-ylfuran-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 58463337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).