[2-(1-benzothiophen-2-yl)-3-pyridinyl]methanol

C14H11NOS — CID 46228243

IUPAC[2-(1-benzothiophen-2-yl)-3-pyridinyl]methanol
SMILESOCc1cccnc1-c1cc2ccccc2s1
InChIInChI=1S/C14H11NOS/c16-9-11-5-3-7-15-14(11)13-8-10-4-1-2-6-12(10)17-13/h1-8,16H,9H2
InChIKeyGTBJNCMXZKMFLM-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.46
Rot. Bonds2

About [2-(1-benzothiophen-2-yl)-3-pyridinyl]methanol

[2-(1-benzothiophen-2-yl)-3-pyridinyl]methanol (PubChem CID 46228243) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is [2-(1-benzothiophen-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(1-benzothiophen-2-yl)-3-pyridinyl]methanol
PubChem CID46228243
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name[2-(1-benzothiophen-2-yl)-3-pyridinyl]methanol
SMILESOCc1cccnc1-c1cc2ccccc2s1
InChIInChI=1S/C14H11NOS/c16-9-11-5-3-7-15-14(11)13-8-10-4-1-2-6-12(10)17-13/h1-8,16H,9H2
InChIKeyGTBJNCMXZKMFLM-UHFFFAOYSA-N
XLogP3.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1-benzothiophen-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [2-(1-benzothiophen-2-yl)-3-pyridinyl]methanol (CID 46228243) is [2-(1-benzothiophen-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(1-benzothiophen-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [2-(1-benzothiophen-2-yl)-3-pyridinyl]methanol is OCc1cccnc1-c1cc2ccccc2s1.
What is the InChIKey of [2-(1-benzothiophen-2-yl)-3-pyridinyl]methanol?
The InChIKey is GTBJNCMXZKMFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c16-9-11-5-3-7-15-14(11)13-8-10-4-1-2-6-12(10)17-13/h1-8,16H,9H2.
What are the key properties of [2-(1-benzothiophen-2-yl)-3-pyridinyl]methanol?
[2-(1-benzothiophen-2-yl)-3-pyridinyl]methanol has a molecular weight of 241.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzothiophen-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 46228243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).