2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride

C10H14Cl2N2S — CID 6917943

IUPAC2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride
SMILESCl.Clc1cccc(SC2CCNCC2)n1
InChIInChI=1S/C10H13ClN2S.ClH/c11-9-2-1-3-10(13-9)14-8-4-6-12-7-5-8;/h1-3,8,12H,4-7H2;1H
InChIKeyGRXDJABVNGUGCW-UHFFFAOYSA-N
MW265.21 g/mol
LogP3.00
Rot. Bonds2

About 2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride

2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride (PubChem CID 6917943) has the molecular formula C10H14Cl2N2S and a molecular weight of 265.21 g/mol. Its IUPAC name is 2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride
PubChem CID6917943
Molecular FormulaC10H14Cl2N2S
Molecular Weight265.21 g/mol
Exact Mass264.03
IUPAC Name2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride
SMILESCl.Clc1cccc(SC2CCNCC2)n1
InChIInChI=1S/C10H13ClN2S.ClH/c11-9-2-1-3-10(13-9)14-8-4-6-12-7-5-8;/h1-3,8,12H,4-7H2;1H
InChIKeyGRXDJABVNGUGCW-UHFFFAOYSA-N
XLogP3.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride?
The IUPAC name of 2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride (CID 6917943) is 2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride.
What is the SMILES notation for 2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride?
The canonical SMILES for 2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride is Cl.Clc1cccc(SC2CCNCC2)n1.
What is the InChIKey of 2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride?
The InChIKey is GRXDJABVNGUGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2S.ClH/c11-9-2-1-3-10(13-9)14-8-4-6-12-7-5-8;/h1-3,8,12H,4-7H2;1H.
What are the key properties of 2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride?
2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride has a molecular weight of 265.21 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-piperidin-4-ylsulfanylpyridine;hydrochloride is sourced from PubChem (CID 6917943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).