3-(2-chlorothiophen-3-yl)pyridine

C9H6ClNS — CID 46317399

IUPAC3-(2-chlorothiophen-3-yl)pyridine
SMILESClc1sccc1-c1cccnc1
InChIInChI=1S/C9H6ClNS/c10-9-8(3-5-12-9)7-2-1-4-11-6-7/h1-6H
InChIKeyYTZRGZCJJPDAJM-UHFFFAOYSA-N
MW195.67 g/mol
LogP3.46
Rot. Bonds1

About 3-(2-chlorothiophen-3-yl)pyridine

3-(2-chlorothiophen-3-yl)pyridine (PubChem CID 46317399) has the molecular formula C9H6ClNS and a molecular weight of 195.67 g/mol. Its IUPAC name is 3-(2-chlorothiophen-3-yl)pyridine.

Molecular Properties

Compound Name3-(2-chlorothiophen-3-yl)pyridine
PubChem CID46317399
Molecular FormulaC9H6ClNS
Molecular Weight195.67 g/mol
Exact Mass194.99
IUPAC Name3-(2-chlorothiophen-3-yl)pyridine
SMILESClc1sccc1-c1cccnc1
InChIInChI=1S/C9H6ClNS/c10-9-8(3-5-12-9)7-2-1-4-11-6-7/h1-6H
InChIKeyYTZRGZCJJPDAJM-UHFFFAOYSA-N
XLogP3.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.67
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorothiophen-3-yl)pyridine?
The IUPAC name of 3-(2-chlorothiophen-3-yl)pyridine (CID 46317399) is 3-(2-chlorothiophen-3-yl)pyridine.
What is the SMILES notation for 3-(2-chlorothiophen-3-yl)pyridine?
The canonical SMILES for 3-(2-chlorothiophen-3-yl)pyridine is Clc1sccc1-c1cccnc1.
What is the InChIKey of 3-(2-chlorothiophen-3-yl)pyridine?
The InChIKey is YTZRGZCJJPDAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNS/c10-9-8(3-5-12-9)7-2-1-4-11-6-7/h1-6H.
What are the key properties of 3-(2-chlorothiophen-3-yl)pyridine?
3-(2-chlorothiophen-3-yl)pyridine has a molecular weight of 195.67 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorothiophen-3-yl)pyridine is sourced from PubChem (CID 46317399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).