2-chloro-6-[(1-methylpiperidin-2-yl)methylsulfanyl]pyridine

C12H17ClN2S — CID 10515276

IUPAC2-chloro-6-[(1-methylpiperidin-2-yl)methylsulfanyl]pyridine
SMILESCN1CCCCC1CSc1cccc(Cl)n1
InChIInChI=1S/C12H17ClN2S/c1-15-8-3-2-5-10(15)9-16-12-7-4-6-11(13)14-12/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyKBKSQEVWUKKLTG-UHFFFAOYSA-N
MW256.80 g/mol
LogP3.31
Rot. Bonds3

About 2-chloro-6-[(1-methylpiperidin-2-yl)methylsulfanyl]pyridine

2-chloro-6-[(1-methylpiperidin-2-yl)methylsulfanyl]pyridine (PubChem CID 10515276) has the molecular formula C12H17ClN2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 2-chloro-6-[(1-methylpiperidin-2-yl)methylsulfanyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(1-methylpiperidin-2-yl)methylsulfanyl]pyridine
PubChem CID10515276
Molecular FormulaC12H17ClN2S
Molecular Weight256.80 g/mol
Exact Mass256.08
IUPAC Name2-chloro-6-[(1-methylpiperidin-2-yl)methylsulfanyl]pyridine
SMILESCN1CCCCC1CSc1cccc(Cl)n1
InChIInChI=1S/C12H17ClN2S/c1-15-8-3-2-5-10(15)9-16-12-7-4-6-11(13)14-12/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeyKBKSQEVWUKKLTG-UHFFFAOYSA-N
XLogP3.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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'}

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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
Fopirtoline
CID 65704
Anpirtolin
CID 164074
5-Chloro-2-pyridyl sulfide
CID 66217660
2-Chloro-6-piperidin-4-ylsulfanylpyridine;dihydrochloride
CID 129718329

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(1-methylpiperidin-2-yl)methylsulfanyl]pyridine?
The IUPAC name of 2-chloro-6-[(1-methylpiperidin-2-yl)methylsulfanyl]pyridine (CID 10515276) is 2-chloro-6-[(1-methylpiperidin-2-yl)methylsulfanyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(1-methylpiperidin-2-yl)methylsulfanyl]pyridine?
The canonical SMILES for 2-chloro-6-[(1-methylpiperidin-2-yl)methylsulfanyl]pyridine is CN1CCCCC1CSc1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(1-methylpiperidin-2-yl)methylsulfanyl]pyridine?
The InChIKey is KBKSQEVWUKKLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2S/c1-15-8-3-2-5-10(15)9-16-12-7-4-6-11(13)14-12/h4,6-7,10H,2-3,5,8-9H2,1H3.
What are the key properties of 2-chloro-6-[(1-methylpiperidin-2-yl)methylsulfanyl]pyridine?
2-chloro-6-[(1-methylpiperidin-2-yl)methylsulfanyl]pyridine has a molecular weight of 256.80 g/mol, XLogP of 3.31, 3 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-2-yl)methylsulfanyl]pyridine is sourced from PubChem (CID 10515276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).