5-chloro-2-thiophen-2-ylpyridine

C9H6ClNS — CID 12841040

IUPAC5-chloro-2-thiophen-2-ylpyridine
SMILESClc1ccc(-c2cccs2)nc1
InChIInChI=1S/C9H6ClNS/c10-7-3-4-8(11-6-7)9-2-1-5-12-9/h1-6H
InChIKeyKCKZFOZOLSPWEK-UHFFFAOYSA-N
MW195.67 g/mol
LogP3.46
Rot. Bonds1

About 5-chloro-2-thiophen-2-ylpyridine

5-chloro-2-thiophen-2-ylpyridine (PubChem CID 12841040) has the molecular formula C9H6ClNS and a molecular weight of 195.67 g/mol. Its IUPAC name is 5-chloro-2-thiophen-2-ylpyridine.

Molecular Properties

Compound Name5-chloro-2-thiophen-2-ylpyridine
PubChem CID12841040
Molecular FormulaC9H6ClNS
Molecular Weight195.67 g/mol
Exact Mass194.99
IUPAC Name5-chloro-2-thiophen-2-ylpyridine
SMILESClc1ccc(-c2cccs2)nc1
InChIInChI=1S/C9H6ClNS/c10-7-3-4-8(11-6-7)9-2-1-5-12-9/h1-6H
InChIKeyKCKZFOZOLSPWEK-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 5-chloro-2-thiophen-2-ylpyridine?
The IUPAC name of 5-chloro-2-thiophen-2-ylpyridine (CID 12841040) is 5-chloro-2-thiophen-2-ylpyridine.
What is the SMILES notation for 5-chloro-2-thiophen-2-ylpyridine?
The canonical SMILES for 5-chloro-2-thiophen-2-ylpyridine is Clc1ccc(-c2cccs2)nc1.
What is the InChIKey of 5-chloro-2-thiophen-2-ylpyridine?
The InChIKey is KCKZFOZOLSPWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNS/c10-7-3-4-8(11-6-7)9-2-1-5-12-9/h1-6H.
What are the key properties of 5-chloro-2-thiophen-2-ylpyridine?
5-chloro-2-thiophen-2-ylpyridine 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 5-chloro-2-thiophen-2-ylpyridine is sourced from PubChem (CID 12841040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).