2-dibenzothiophen-1-ylpyridine

C17H11NS — CID 66700387

IUPAC2-dibenzothiophen-1-ylpyridine
SMILESc1ccc(-c2cccc3sc4ccccc4c23)nc1
InChIInChI=1S/C17H11NS/c1-2-9-15-13(6-1)17-12(7-5-10-16(17)19-15)14-8-3-4-11-18-14/h1-11H
InChIKeyHQRJDYGDYAQNMB-UHFFFAOYSA-N
MW261.35 g/mol
LogP5.12
Rot. Bonds1

About 2-dibenzothiophen-1-ylpyridine

2-dibenzothiophen-1-ylpyridine (PubChem CID 66700387) has the molecular formula C17H11NS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-dibenzothiophen-1-ylpyridine.

Molecular Properties

Compound Name2-dibenzothiophen-1-ylpyridine
PubChem CID66700387
Molecular FormulaC17H11NS
Molecular Weight261.35 g/mol
Exact Mass261.06
IUPAC Name2-dibenzothiophen-1-ylpyridine
SMILESc1ccc(-c2cccc3sc4ccccc4c23)nc1
InChIInChI=1S/C17H11NS/c1-2-9-15-13(6-1)17-12(7-5-10-16(17)19-15)14-8-3-4-11-18-14/h1-11H
InChIKeyHQRJDYGDYAQNMB-UHFFFAOYSA-N
XLogP5.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.35
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-ylpyridine?
The IUPAC name of 2-dibenzothiophen-1-ylpyridine (CID 66700387) is 2-dibenzothiophen-1-ylpyridine.
What is the SMILES notation for 2-dibenzothiophen-1-ylpyridine?
The canonical SMILES for 2-dibenzothiophen-1-ylpyridine is c1ccc(-c2cccc3sc4ccccc4c23)nc1.
What is the InChIKey of 2-dibenzothiophen-1-ylpyridine?
The InChIKey is HQRJDYGDYAQNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NS/c1-2-9-15-13(6-1)17-12(7-5-10-16(17)19-15)14-8-3-4-11-18-14/h1-11H.
What are the key properties of 2-dibenzothiophen-1-ylpyridine?
2-dibenzothiophen-1-ylpyridine has a molecular weight of 261.35 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-ylpyridine is sourced from PubChem (CID 66700387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).