2-(3-Methoxy-1-benzothiophen-2-yl)pyridine

C14H11NOS — CID 44429807

IUPAC2-(3-methoxy-1-benzothiophen-2-yl)pyridine
SMILESCOC1=C(SC2=CC=CC=C21)C3=CC=CC=N3
InChIInChI=1S/C14H11NOS/c1-16-13-10-6-2-3-8-12(10)17-14(13)11-7-4-5-9-15-11/h2-9H,1H3
InChIKeyPDZAKWLSAMKGOR-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.50
Rot. Bonds2

About 2-(3-Methoxy-1-benzothiophen-2-yl)pyridine

2-(3-Methoxy-1-benzothiophen-2-yl)pyridine (PubChem CID 44429807) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(3-methoxy-1-benzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-(3-Methoxy-1-benzothiophen-2-yl)pyridine
PubChem CID44429807
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC Name2-(3-methoxy-1-benzothiophen-2-yl)pyridine
SMILESCOC1=C(SC2=CC=CC=C21)C3=CC=CC=N3
InChIInChI=1S/C14H11NOS/c1-16-13-10-6-2-3-8-12(10)17-14(13)11-7-4-5-9-15-11/h2-9H,1H3
InChIKeyPDZAKWLSAMKGOR-UHFFFAOYSA-N
XLogP3.50
TPSA50.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity261

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methoxy-3-thiophen-3-yl-quinoline
CID 10083051
7-Methoxy-3-thiophen-3-yl-quinoline
CID 10331922
4-[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057056
rac-2-(3-(1-(6-methoxypyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11530223
(-)-(R)-2-(3-(1-(2-methoxypyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11695811
rac-2-(3-(1-(6-methoxypyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884154
2-(2-Methoxyphenyl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
CID 16662929
7-Methoxy-3-(3-thienyl)isoquinoline
CID 44142278
2-[2-[5-Methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]ethynyl]pyridine
CID 44142497
2-Methoxy-5-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]pyridine
CID 44202207
(+)-(R)-2-(3-(1-(3-methoxypyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884120
6-methoxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137660689

Frequently Asked Questions

What is the IUPAC name of 2-(3-Methoxy-1-benzothiophen-2-yl)pyridine?
The IUPAC name of 2-(3-Methoxy-1-benzothiophen-2-yl)pyridine (CID 44429807) is 2-(3-methoxy-1-benzothiophen-2-yl)pyridine.
What is the SMILES notation for 2-(3-Methoxy-1-benzothiophen-2-yl)pyridine?
The canonical SMILES for 2-(3-Methoxy-1-benzothiophen-2-yl)pyridine is COC1=C(SC2=CC=CC=C21)C3=CC=CC=N3.
What is the InChIKey of 2-(3-Methoxy-1-benzothiophen-2-yl)pyridine?
The InChIKey is PDZAKWLSAMKGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-16-13-10-6-2-3-8-12(10)17-14(13)11-7-4-5-9-15-11/h2-9H,1H3.
What are the key properties of 2-(3-Methoxy-1-benzothiophen-2-yl)pyridine?
2-(3-Methoxy-1-benzothiophen-2-yl)pyridine has a molecular weight of 241.31 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-Methoxy-1-benzothiophen-2-yl)pyridine is sourced from PubChem (CID 44429807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).