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

C20H13F2NOS2 — CID 24745105

IUPAC[2-(3,5-difluorophenyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccsc2)csc1-c1cc(F)cc(F)c1
InChIInChI=1S/C20H13F2NOS2/c21-15-6-14(7-16(22)8-15)20-18(19(24)12-2-1-4-23-9-12)17(11-26-20)13-3-5-25-10-13/h1-11,19,24H
InChIKeyAVORMLKJFDHCHF-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.90
Rot. Bonds4

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

[2-(3,5-difluorophenyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol (PubChem CID 24745105) has the molecular formula C20H13F2NOS2 and a molecular weight of 385.46 g/mol. Its IUPAC name is [2-(3,5-difluorophenyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[2-(3,5-difluorophenyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol
PubChem CID24745105
Molecular FormulaC20H13F2NOS2
Molecular Weight385.46 g/mol
Exact Mass385.04
IUPAC Name[2-(3,5-difluorophenyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccsc2)csc1-c1cc(F)cc(F)c1
InChIInChI=1S/C20H13F2NOS2/c21-15-6-14(7-16(22)8-15)20-18(19(24)12-2-1-4-23-9-12)17(11-26-20)13-3-5-25-10-13/h1-11,19,24H
InChIKeyAVORMLKJFDHCHF-UHFFFAOYSA-N
XLogP5.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.90
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-3-ylthiophen-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [2-(3,5-difluorophenyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol (CID 24745105) is [2-(3,5-difluorophenyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [2-(3,5-difluorophenyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [2-(3,5-difluorophenyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccsc2)csc1-c1cc(F)cc(F)c1.
What is the InChIKey of [2-(3,5-difluorophenyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol?
The InChIKey is AVORMLKJFDHCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2NOS2/c21-15-6-14(7-16(22)8-15)20-18(19(24)12-2-1-4-23-9-12)17(11-26-20)13-3-5-25-10-13/h1-11,19,24H.
What are the key properties of [2-(3,5-difluorophenyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol?
[2-(3,5-difluorophenyl)-4-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol has a molecular weight of 385.46 g/mol, XLogP of 5.90, 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-3-ylthiophen-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 24745105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).