2-(1-benzothiophen-7-yl)-6-chloropyridine

C13H8ClNS — CID 81148344

IUPAC2-(1-benzothiophen-7-yl)-6-chloropyridine
SMILESClc1cccc(-c2cccc3ccsc23)n1
InChIInChI=1S/C13H8ClNS/c14-12-6-2-5-11(15-12)10-4-1-3-9-7-8-16-13(9)10/h1-8H
InChIKeyKYBIXCDYZSSGRS-UHFFFAOYSA-N
MW245.73 g/mol
LogP4.62
Rot. Bonds1

About 2-(1-benzothiophen-7-yl)-6-chloropyridine

2-(1-benzothiophen-7-yl)-6-chloropyridine (PubChem CID 81148344) has the molecular formula C13H8ClNS and a molecular weight of 245.73 g/mol. Its IUPAC name is 2-(1-benzothiophen-7-yl)-6-chloropyridine.

Molecular Properties

Compound Name2-(1-benzothiophen-7-yl)-6-chloropyridine
PubChem CID81148344
Molecular FormulaC13H8ClNS
Molecular Weight245.73 g/mol
Exact Mass245.01
IUPAC Name2-(1-benzothiophen-7-yl)-6-chloropyridine
SMILESClc1cccc(-c2cccc3ccsc23)n1
InChIInChI=1S/C13H8ClNS/c14-12-6-2-5-11(15-12)10-4-1-3-9-7-8-16-13(9)10/h1-8H
InChIKeyKYBIXCDYZSSGRS-UHFFFAOYSA-N
XLogP4.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-7-yl)-6-chloropyridine?
The IUPAC name of 2-(1-benzothiophen-7-yl)-6-chloropyridine (CID 81148344) is 2-(1-benzothiophen-7-yl)-6-chloropyridine.
What is the SMILES notation for 2-(1-benzothiophen-7-yl)-6-chloropyridine?
The canonical SMILES for 2-(1-benzothiophen-7-yl)-6-chloropyridine is Clc1cccc(-c2cccc3ccsc23)n1.
What is the InChIKey of 2-(1-benzothiophen-7-yl)-6-chloropyridine?
The InChIKey is KYBIXCDYZSSGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNS/c14-12-6-2-5-11(15-12)10-4-1-3-9-7-8-16-13(9)10/h1-8H.
What are the key properties of 2-(1-benzothiophen-7-yl)-6-chloropyridine?
2-(1-benzothiophen-7-yl)-6-chloropyridine has a molecular weight of 245.73 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-7-yl)-6-chloropyridine is sourced from PubChem (CID 81148344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).