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

C14H11NS — CID 58084654

IUPAC2-(3-methyl-1-benzothiophen-2-yl)pyridine
SMILESCc1c(-c2ccccn2)sc2ccccc12
InChIInChI=1S/C14H11NS/c1-10-11-6-2-3-8-13(11)16-14(10)12-7-4-5-9-15-12/h2-9H,1H3
InChIKeyQJMBQSXMJYJCBY-UHFFFAOYSA-N
MW225.32 g/mol
LogP4.27
Rot. Bonds1

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

2-(3-methyl-1-benzothiophen-2-yl)pyridine (PubChem CID 58084654) has the molecular formula C14H11NS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(3-methyl-1-benzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-(3-methyl-1-benzothiophen-2-yl)pyridine
PubChem CID58084654
Molecular FormulaC14H11NS
Molecular Weight225.32 g/mol
Exact Mass225.06
IUPAC Name2-(3-methyl-1-benzothiophen-2-yl)pyridine
SMILESCc1c(-c2ccccn2)sc2ccccc12
InChIInChI=1S/C14H11NS/c1-10-11-6-2-3-8-13(11)16-14(10)12-7-4-5-9-15-12/h2-9H,1H3
InChIKeyQJMBQSXMJYJCBY-UHFFFAOYSA-N
XLogP4.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-benzothiophen-2-yl)pyridine?
The IUPAC name of 2-(3-methyl-1-benzothiophen-2-yl)pyridine (CID 58084654) is 2-(3-methyl-1-benzothiophen-2-yl)pyridine.
What is the SMILES notation for 2-(3-methyl-1-benzothiophen-2-yl)pyridine?
The canonical SMILES for 2-(3-methyl-1-benzothiophen-2-yl)pyridine is Cc1c(-c2ccccn2)sc2ccccc12.
What is the InChIKey of 2-(3-methyl-1-benzothiophen-2-yl)pyridine?
The InChIKey is QJMBQSXMJYJCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS/c1-10-11-6-2-3-8-13(11)16-14(10)12-7-4-5-9-15-12/h2-9H,1H3.
What are the key properties of 2-(3-methyl-1-benzothiophen-2-yl)pyridine?
2-(3-methyl-1-benzothiophen-2-yl)pyridine has a molecular weight of 225.32 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-benzothiophen-2-yl)pyridine is sourced from PubChem (CID 58084654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).