2-(4-fluoro-1-benzothiophen-2-yl)pyridine

C13H8FNS — CID 102139061

IUPAC2-(4-fluoro-1-benzothiophen-2-yl)pyridine
SMILESFc1cccc2sc(-c3ccccn3)cc12
InChIInChI=1S/C13H8FNS/c14-10-4-3-6-12-9(10)8-13(16-12)11-5-1-2-7-15-11/h1-8H
InChIKeyBOMXUMTUBRPPTB-UHFFFAOYSA-N
MW229.28 g/mol
LogP4.10
Rot. Bonds1

About 2-(4-fluoro-1-benzothiophen-2-yl)pyridine

2-(4-fluoro-1-benzothiophen-2-yl)pyridine (PubChem CID 102139061) has the molecular formula C13H8FNS and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(4-fluoro-1-benzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-(4-fluoro-1-benzothiophen-2-yl)pyridine
PubChem CID102139061
Molecular FormulaC13H8FNS
Molecular Weight229.28 g/mol
Exact Mass229.04
IUPAC Name2-(4-fluoro-1-benzothiophen-2-yl)pyridine
SMILESFc1cccc2sc(-c3ccccn3)cc12
InChIInChI=1S/C13H8FNS/c14-10-4-3-6-12-9(10)8-13(16-12)11-5-1-2-7-15-11/h1-8H
InChIKeyBOMXUMTUBRPPTB-UHFFFAOYSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
2-[5-[5-(5-pyridin-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyridine
CID 102384658
2-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-pyridin-2-ylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 101338868
4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine
CID 1485413
2-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102162968
2-(3-methyl-1-benzothiophen-2-yl)pyridine
CID 58084654
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(1-benzothiophen-2-yl)pyridine;iridium
CID 158906670
5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
CID 115109718
2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine
CID 115113984
2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine
CID 142679353
dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine
CID 22968583
2-(4-chloro-5-methylthiophen-2-yl)pyridine
CID 174439446

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-benzothiophen-2-yl)pyridine?
The IUPAC name of 2-(4-fluoro-1-benzothiophen-2-yl)pyridine (CID 102139061) is 2-(4-fluoro-1-benzothiophen-2-yl)pyridine.
What is the SMILES notation for 2-(4-fluoro-1-benzothiophen-2-yl)pyridine?
The canonical SMILES for 2-(4-fluoro-1-benzothiophen-2-yl)pyridine is Fc1cccc2sc(-c3ccccn3)cc12.
What is the InChIKey of 2-(4-fluoro-1-benzothiophen-2-yl)pyridine?
The InChIKey is BOMXUMTUBRPPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNS/c14-10-4-3-6-12-9(10)8-13(16-12)11-5-1-2-7-15-11/h1-8H.
What are the key properties of 2-(4-fluoro-1-benzothiophen-2-yl)pyridine?
2-(4-fluoro-1-benzothiophen-2-yl)pyridine has a molecular weight of 229.28 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-benzothiophen-2-yl)pyridine is sourced from PubChem (CID 102139061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).