[5-(2,3-dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol

C20H18FNOS2 — CID 70883307

IUPAC[5-(2,3-dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
SMILESOC(C1=C(C2=CCCS2)SCC1c1cccc(F)c1)c1cccnc1
InChIInChI=1S/C20H18FNOS2/c21-15-6-1-4-13(10-15)16-12-25-20(17-7-3-9-24-17)18(16)19(23)14-5-2-8-22-11-14/h1-2,4-8,10-11,16,19,23H,3,9,12H2
InChIKeyZMGYTOFOTINRLC-UHFFFAOYSA-N
MW371.50 g/mol
LogP5.06
Rot. Bonds4

About [5-(2,3-dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol

[5-(2,3-dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol (PubChem CID 70883307) has the molecular formula C20H18FNOS2 and a molecular weight of 371.50 g/mol. Its IUPAC name is [5-(2,3-dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[5-(2,3-dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
PubChem CID70883307
Molecular FormulaC20H18FNOS2
Molecular Weight371.50 g/mol
Exact Mass371.08
IUPAC Name[5-(2,3-dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
SMILESOC(C1=C(C2=CCCS2)SCC1c1cccc(F)c1)c1cccnc1
InChIInChI=1S/C20H18FNOS2/c21-15-6-1-4-13(10-15)16-12-25-20(17-7-3-9-24-17)18(16)19(23)14-5-2-8-22-11-14/h1-2,4-8,10-11,16,19,23H,3,9,12H2
InChIKeyZMGYTOFOTINRLC-UHFFFAOYSA-N
XLogP5.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [5-(2,3-dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol (CID 70883307) is [5-(2,3-dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [5-(2,3-dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [5-(2,3-dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol is OC(C1=C(C2=CCCS2)SCC1c1cccc(F)c1)c1cccnc1.
What is the InChIKey of [5-(2,3-dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol?
The InChIKey is ZMGYTOFOTINRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNOS2/c21-15-6-1-4-13(10-15)16-12-25-20(17-7-3-9-24-17)18(16)19(23)14-5-2-8-22-11-14/h1-2,4-8,10-11,16,19,23H,3,9,12H2.
What are the key properties of [5-(2,3-dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol?
[5-(2,3-dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol has a molecular weight of 371.50 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 70883307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).