2-(1-benzothiophen-1-ylidenemethyl)pyridine

C14H11NS — CID 171904753

IUPAC2-(1-benzothiophen-1-ylidenemethyl)pyridine
SMILESC1=CS(=Cc2ccccn2)c2ccccc21
InChIInChI=1S/C14H11NS/c1-2-7-14-12(5-1)8-10-16(14)11-13-6-3-4-9-15-13/h1-11H
InChIKeyWDTJTRZOKCXSMS-UHFFFAOYSA-N
MW225.32 g/mol
LogP3.54
Rot. Bonds1

About 2-(1-benzothiophen-1-ylidenemethyl)pyridine

2-(1-benzothiophen-1-ylidenemethyl)pyridine (PubChem CID 171904753) has the molecular formula C14H11NS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(1-benzothiophen-1-ylidenemethyl)pyridine.

Molecular Properties

Compound Name2-(1-benzothiophen-1-ylidenemethyl)pyridine
PubChem CID171904753
Molecular FormulaC14H11NS
Molecular Weight225.32 g/mol
Exact Mass225.06
IUPAC Name2-(1-benzothiophen-1-ylidenemethyl)pyridine
SMILESC1=CS(=Cc2ccccn2)c2ccccc21
InChIInChI=1S/C14H11NS/c1-2-7-14-12(5-1)8-10-16(14)11-13-6-3-4-9-15-13/h1-11H
InChIKeyWDTJTRZOKCXSMS-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3-Phenylpropyl)Pyridine
CID 459494
2-Phenylpyridine
CID 13887
2-(Phenylmethyl)pyridine
CID 7581
4-Phenyl-2-(4-pyridyl)thiazole
CID 738483
2-(2'-Thienyl)pyridine
CID 76832
4-Phenyl-2-(pyridin-3-yl)thiazole
CID 701015
4-(((Pyridin-3-yl)methyl)sulfanyl)aniline
CID 3642065
2-(2-Phenylethyl)pyridine
CID 75028
3-(3-Thienyl)pyridine
CID 595254
2-Benzylsulfanyl-1-oxidopyridin-1-ium
CID 501066
2-(1-Phenylethenyl)pyridine
CID 139919
3-(2-Thienyl)pyridine
CID 595145

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-1-ylidenemethyl)pyridine?
The IUPAC name of 2-(1-benzothiophen-1-ylidenemethyl)pyridine (CID 171904753) is 2-(1-benzothiophen-1-ylidenemethyl)pyridine.
What is the SMILES notation for 2-(1-benzothiophen-1-ylidenemethyl)pyridine?
The canonical SMILES for 2-(1-benzothiophen-1-ylidenemethyl)pyridine is C1=CS(=Cc2ccccn2)c2ccccc21.
What is the InChIKey of 2-(1-benzothiophen-1-ylidenemethyl)pyridine?
The InChIKey is WDTJTRZOKCXSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS/c1-2-7-14-12(5-1)8-10-16(14)11-13-6-3-4-9-15-13/h1-11H.
What are the key properties of 2-(1-benzothiophen-1-ylidenemethyl)pyridine?
2-(1-benzothiophen-1-ylidenemethyl)pyridine has a molecular weight of 225.32 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-1-ylidenemethyl)pyridine is sourced from PubChem (CID 171904753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).