2-chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine

C11H15ClN2S — CID 4123113

IUPAC2-chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine
SMILESCN1CCC(Sc2cccc(Cl)n2)CC1
InChIInChI=1S/C11H15ClN2S/c1-14-7-5-9(6-8-14)15-11-4-2-3-10(12)13-11/h2-4,9H,5-8H2,1H3
InChIKeyHULQBIVEGFDWTB-UHFFFAOYSA-N
MW242.77 g/mol
LogP2.92
Rot. Bonds2

About 2-chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine

2-chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine (PubChem CID 4123113) has the molecular formula C11H15ClN2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 2-chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine.

Molecular Properties

Compound Name2-chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine
PubChem CID4123113
Molecular FormulaC11H15ClN2S
Molecular Weight242.77 g/mol
Exact Mass242.06
IUPAC Name2-chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine
SMILESCN1CCC(Sc2cccc(Cl)n2)CC1
InChIInChI=1S/C11H15ClN2S/c1-14-7-5-9(6-8-14)15-11-4-2-3-10(12)13-11/h2-4,9H,5-8H2,1H3
InChIKeyHULQBIVEGFDWTB-UHFFFAOYSA-N
XLogP2.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Anpirtoline
CID 65854
Pyridine, 2-chloro-6-(4-piperidinylthio)-, hydrochloride (1:1)
CID 6917943
Thiazolidine, 3-(7-(5-chloro-2-pyridyl)thioheptyl)-, hydrochloride
CID 218547
Thiazolidine, 3-(4-(5-chloro-2-pyridyl)thiobutyl)-, hydrochloride
CID 3038736
Thiazolidine, 3-(3-(5-chloro-2-pyridyl)thiopropyl)-, hydrochloride
CID 3038785
Thiazolidine, 3-(5-(5-chloro-2-pyridyl)thiopentyl)-, dihydrochloride
CID 3038799
Thiazolidine, 3-(6-(5-chloro-2-pyridyl)thiohexyl)-, hydrochloride
CID 3038807
2-Chloro-6-(methylsulfanyl)pyridine
CID 1477089
2-Chloro-5-(ethylsulfanyl)pyridine
CID 118042718
2-Chloro-3-(ethylsulfanyl)pyridine
CID 119093767
Fopirtoline
CID 65704
Anpirtolin
CID 164074

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine?
The IUPAC name of 2-chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine (CID 4123113) is 2-chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine.
What is the SMILES notation for 2-chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine?
The canonical SMILES for 2-chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine is CN1CCC(Sc2cccc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine?
The InChIKey is HULQBIVEGFDWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/c1-14-7-5-9(6-8-14)15-11-4-2-3-10(12)13-11/h2-4,9H,5-8H2,1H3.
What are the key properties of 2-chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine?
2-chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine has a molecular weight of 242.77 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine is sourced from PubChem (CID 4123113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).