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

C14H11NOS — CID 11322436

IUPAC3-(3-methoxy-1-benzothiophen-2-yl)pyridine
SMILESCOc1c(-c2cccnc2)sc2ccccc12
InChIInChI=1S/C14H11NOS/c1-16-13-11-6-2-3-7-12(11)17-14(13)10-5-4-8-15-9-10/h2-9H,1H3
InChIKeyFCQJOXZRYSFZPF-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.97
Rot. Bonds2

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

3-(3-methoxy-1-benzothiophen-2-yl)pyridine (PubChem CID 11322436) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-(3-methoxy-1-benzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name3-(3-methoxy-1-benzothiophen-2-yl)pyridine
PubChem CID11322436
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name3-(3-methoxy-1-benzothiophen-2-yl)pyridine
SMILESCOc1c(-c2cccnc2)sc2ccccc12
InChIInChI=1S/C14H11NOS/c1-16-13-11-6-2-3-7-12(11)17-14(13)10-5-4-8-15-9-10/h2-9H,1H3
InChIKeyFCQJOXZRYSFZPF-UHFFFAOYSA-N
XLogP3.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1-benzothiophen-2-yl)pyridine?
The IUPAC name of 3-(3-methoxy-1-benzothiophen-2-yl)pyridine (CID 11322436) is 3-(3-methoxy-1-benzothiophen-2-yl)pyridine.
What is the SMILES notation for 3-(3-methoxy-1-benzothiophen-2-yl)pyridine?
The canonical SMILES for 3-(3-methoxy-1-benzothiophen-2-yl)pyridine is COc1c(-c2cccnc2)sc2ccccc12.
What is the InChIKey of 3-(3-methoxy-1-benzothiophen-2-yl)pyridine?
The InChIKey is FCQJOXZRYSFZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-16-13-11-6-2-3-7-12(11)17-14(13)10-5-4-8-15-9-10/h2-9H,1H3.
What are the key properties of 3-(3-methoxy-1-benzothiophen-2-yl)pyridine?
3-(3-methoxy-1-benzothiophen-2-yl)pyridine has a molecular weight of 241.32 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1-benzothiophen-2-yl)pyridine is sourced from PubChem (CID 11322436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).