1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol

C15H13NOS — CID 81154090

IUPAC1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol
SMILESOC(Cc1cccnc1)c1cccc2ccsc12
InChIInChI=1S/C15H13NOS/c17-14(9-11-3-2-7-16-10-11)13-5-1-4-12-6-8-18-15(12)13/h1-8,10,14,17H,9H2
InChIKeyUPDRXTCQAWCQNK-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.57
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol

1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol (PubChem CID 81154090) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol
PubChem CID81154090
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol
SMILESOC(Cc1cccnc1)c1cccc2ccsc12
InChIInChI=1S/C15H13NOS/c17-14(9-11-3-2-7-16-10-11)13-5-1-4-12-6-8-18-15(12)13/h1-8,10,14,17H,9H2
InChIKeyUPDRXTCQAWCQNK-UHFFFAOYSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-benzothiophen-7-yl)-3-pyridin-3-ylpropyl]hydrazine
CID 105327733
1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethanol
CID 81152861
1-(2-methylphenyl)-2-pyridin-3-ylethanol
CID 62551193
1-(3-methylthiophen-2-yl)-2-pyridin-3-ylethanol
CID 79987986
1-(1-benzothiophen-7-yl)-2-phenoxyethanol
CID 81152772
1-(1-benzothiophen-7-yl)-2-cyclopentylethanol
CID 115827369
1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol
CID 81146470
1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol
CID 115832109
1-(1-benzothiophen-7-yl)-3-(4-methylphenyl)propan-1-ol
CID 105119163
1-naphthalen-2-yl-2-pyridin-3-ylethanol
CID 62790666
2-pyridin-3-yl-1-[2-(2H-tetrazol-5-yl)phenyl]ethanol
CID 173252357
1-(1-benzothiophen-7-yl)-2-(cyclopropylamino)ethanol
CID 81146469

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol (CID 81154090) is 1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol is OC(Cc1cccnc1)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol?
The InChIKey is UPDRXTCQAWCQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c17-14(9-11-3-2-7-16-10-11)13-5-1-4-12-6-8-18-15(12)13/h1-8,10,14,17H,9H2.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol?
1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol has a molecular weight of 255.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-pyridin-3-ylethanol is sourced from PubChem (CID 81154090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).