2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine

C12H17ClN2S — CID 51057856

IUPAC2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine
SMILESClc1cccc(SCCN2CCCCC2)n1
InChIInChI=1S/C12H17ClN2S/c13-11-5-4-6-12(14-11)16-10-9-15-7-2-1-3-8-15/h4-6H,1-3,7-10H2
InChIKeyIHZDNKNPPWFNKL-UHFFFAOYSA-N
MW256.80 g/mol
LogP3.31
Rot. Bonds4

About 2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine

2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine (PubChem CID 51057856) has the molecular formula C12H17ClN2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine
PubChem CID51057856
Molecular FormulaC12H17ClN2S
Molecular Weight256.80 g/mol
Exact Mass256.08
IUPAC Name2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine
SMILESClc1cccc(SCCN2CCCCC2)n1
InChIInChI=1S/C12H17ClN2S/c13-11-5-4-6-12(14-11)16-10-9-15-7-2-1-3-8-15/h4-6H,1-3,7-10H2
InChIKeyIHZDNKNPPWFNKL-UHFFFAOYSA-N
XLogP3.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2,6-bis(2-piperidin-1-ylethylsulfanyl)pyrimidine
CID 13310869
N-[2-(azepan-1-yl)ethyl]-6-chloropyridin-2-amine
CID 107257793
2-chloro-6-(piperidin-1-ylmethyl)pyridine
CID 13388686
2-chloro-6-(2-piperidin-1-ylethylsulfinyl)pyridine
CID 110175665
1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512
6-chloro-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 55052305
3-(3-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine
CID 7672473
ethyl N-[2-amino-6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]carbamate
CID 146301787
2-(2-piperidin-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one
CID 7256655
2-chloro-4-(2-pyrrolidin-1-ylethylsulfanyl)aniline
CID 79150235
2-(2-piperidin-1-ylethylsulfanyl)-1H-benzimidazole;hydrochloride
CID 126475917
7-chloro-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one
CID 141163144

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine?
The IUPAC name of 2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine (CID 51057856) is 2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine.
What is the SMILES notation for 2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine?
The canonical SMILES for 2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine is Clc1cccc(SCCN2CCCCC2)n1.
What is the InChIKey of 2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine?
The InChIKey is IHZDNKNPPWFNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2S/c13-11-5-4-6-12(14-11)16-10-9-15-7-2-1-3-8-15/h4-6H,1-3,7-10H2.
What are the key properties of 2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine?
2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine has a molecular weight of 256.80 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-piperidin-1-ylethylsulfanyl)pyridine is sourced from PubChem (CID 51057856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).