2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde

C14H9NOS — CID 11601152

IUPAC2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde
SMILESO=Cc1c(-c2cccnc2)sc2ccccc12
InChIInChI=1S/C14H9NOS/c16-9-12-11-5-1-2-6-13(11)17-14(12)10-4-3-7-15-8-10/h1-9H
InChIKeyGEJKTQGUQWJEAB-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.78
Rot. Bonds2

About 2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde

2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde (PubChem CID 11601152) has the molecular formula C14H9NOS and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde
PubChem CID11601152
Molecular FormulaC14H9NOS
Molecular Weight239.30 g/mol
Exact Mass239.04
IUPAC Name2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde
SMILESO=Cc1c(-c2cccnc2)sc2ccccc12
InChIInChI=1S/C14H9NOS/c16-9-12-11-5-1-2-6-13(11)17-14(12)10-4-3-7-15-8-10/h1-9H
InChIKeyGEJKTQGUQWJEAB-UHFFFAOYSA-N
XLogP3.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-isoquinolin-4-yl-1-benzothiophene-3-carbaldehyde
CID 102105665
2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 2771714
7-fluoro-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3753666
7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3762825
3-(10-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylanthracen-9-yl)pyridine
CID 126652979
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
3-[5-[5-[5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyridine
CID 102393188
3-fluoro-2-phenylthiochromen-4-one
CID 11097189
2-pyridin-3-ylbenzo[e][1,3]benzothiazole
CID 13407323
2-fluoro-6-pyridin-3-ylpyridine-3-carbaldehyde
CID 131869800
(5-pyridin-3-ylthiophen-2-yl) formate
CID 174545765
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde?
The IUPAC name of 2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde (CID 11601152) is 2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde.
What is the SMILES notation for 2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde?
The canonical SMILES for 2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde is O=Cc1c(-c2cccnc2)sc2ccccc12.
What is the InChIKey of 2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde?
The InChIKey is GEJKTQGUQWJEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NOS/c16-9-12-11-5-1-2-6-13(11)17-14(12)10-4-3-7-15-8-10/h1-9H.
What are the key properties of 2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde?
2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde has a molecular weight of 239.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde is sourced from PubChem (CID 11601152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).