4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine

C15H11NS — CID 5160129

IUPAC4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine
SMILESC(=Cc1cc2ccccc2s1)c1ccncc1
InChIInChI=1S/C15H11NS/c1-2-4-15-13(3-1)11-14(17-15)6-5-12-7-9-16-10-8-12/h1-11H
InChIKeyOLBCISIUYQHQPU-UHFFFAOYSA-N
MW237.33 g/mol
LogP4.47
Rot. Bonds2

About 4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine

4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine (PubChem CID 5160129) has the molecular formula C15H11NS and a molecular weight of 237.33 g/mol. Its IUPAC name is 4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine.

Molecular Properties

Compound Name4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine
PubChem CID5160129
Molecular FormulaC15H11NS
Molecular Weight237.33 g/mol
Exact Mass237.06
IUPAC Name4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine
SMILESC(=Cc1cc2ccccc2s1)c1ccncc1
InChIInChI=1S/C15H11NS/c1-2-4-15-13(3-1)11-14(17-15)6-5-12-7-9-16-10-8-12/h1-11H
InChIKeyOLBCISIUYQHQPU-UHFFFAOYSA-N
XLogP4.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-2-(1-benzothiophen-2-yl)ethenyl]benzaldehyde
CID 122476548
2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-1-benzothiophene
CID 14696263
2-buta-1,3-dienyl-1-benzothiophene
CID 150239976
2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene
CID 71414689
3-[(E)-2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenolate
CID 58231598
7,17-bis(2-tetracen-2-ylethenyl)-6,18-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),16-nonaene
CID 76589926
sodium;3-[2-(1-benzothiophen-2-yl)ethenyl]-5-methoxyphenol;hydride
CID 173047029
4-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 10932177
3-(1-benzothiophen-2-yl)prop-2-enamide
CID 169481889
2-[(E)-pent-1-enyl]-1-benzothiophene
CID 56648426
2-(2-nitroethenyl)-1-benzothiophene
CID 66801639
2-[(E)-2-phenylethenyl]benzo[e][1]benzothiole
CID 13128318

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine?
The IUPAC name of 4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine (CID 5160129) is 4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine.
What is the SMILES notation for 4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine?
The canonical SMILES for 4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine is C(=Cc1cc2ccccc2s1)c1ccncc1.
What is the InChIKey of 4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine?
The InChIKey is OLBCISIUYQHQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NS/c1-2-4-15-13(3-1)11-14(17-15)6-5-12-7-9-16-10-8-12/h1-11H.
What are the key properties of 4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine?
4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine has a molecular weight of 237.33 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-benzothiophen-2-yl)ethenyl]pyridine is sourced from PubChem (CID 5160129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).