2-chloro-6-[(1-methylpiperidin-4-yl)methylsulfanyl]pyridine

C12H17ClN2S — CID 10491348

IUPAC2-chloro-6-[(1-methylpiperidin-4-yl)methylsulfanyl]pyridine
SMILESCN1CCC(CSc2cccc(Cl)n2)CC1
InChIInChI=1S/C12H17ClN2S/c1-15-7-5-10(6-8-15)9-16-12-4-2-3-11(13)14-12/h2-4,10H,5-9H2,1H3
InChIKeyWCEILANDBVKDAW-UHFFFAOYSA-N
MW256.80 g/mol
LogP3.17
Rot. Bonds3

About 2-chloro-6-[(1-methylpiperidin-4-yl)methylsulfanyl]pyridine

2-chloro-6-[(1-methylpiperidin-4-yl)methylsulfanyl]pyridine (PubChem CID 10491348) has the molecular formula C12H17ClN2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 2-chloro-6-[(1-methylpiperidin-4-yl)methylsulfanyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(1-methylpiperidin-4-yl)methylsulfanyl]pyridine
PubChem CID10491348
Molecular FormulaC12H17ClN2S
Molecular Weight256.80 g/mol
Exact Mass256.08
IUPAC Name2-chloro-6-[(1-methylpiperidin-4-yl)methylsulfanyl]pyridine
SMILESCN1CCC(CSc2cccc(Cl)n2)CC1
InChIInChI=1S/C12H17ClN2S/c1-15-7-5-10(6-8-15)9-16-12-4-2-3-11(13)14-12/h2-4,10H,5-9H2,1H3
InChIKeyWCEILANDBVKDAW-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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
2-Chloro-6-(methylsulfanyl)pyridine
CID 1477089
Fopirtoline
CID 65704
Anpirtolin
CID 164074
2-Chloro-6-piperidin-4-ylsulfanylpyridine;dihydrochloride
CID 129718329
2-Chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine
CID 15551949
2-Chloro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine
CID 86588663
4-[(6-Chloro-2-fluoro-3-pyridinyl)methyl]thiomorpholine
CID 87578088
2-Chloro-6-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]sulfanylpyridine
CID 88076051
2-Chloro-6-[1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]sulfanylpyridine
CID 88076975
2-Chloro-6-ethylthio-4-pyridinecarbothioamide
CID 2754839

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(1-methylpiperidin-4-yl)methylsulfanyl]pyridine?
The IUPAC name of 2-chloro-6-[(1-methylpiperidin-4-yl)methylsulfanyl]pyridine (CID 10491348) is 2-chloro-6-[(1-methylpiperidin-4-yl)methylsulfanyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(1-methylpiperidin-4-yl)methylsulfanyl]pyridine?
The canonical SMILES for 2-chloro-6-[(1-methylpiperidin-4-yl)methylsulfanyl]pyridine is CN1CCC(CSc2cccc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-6-[(1-methylpiperidin-4-yl)methylsulfanyl]pyridine?
The InChIKey is WCEILANDBVKDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2S/c1-15-7-5-10(6-8-15)9-16-12-4-2-3-11(13)14-12/h2-4,10H,5-9H2,1H3.
What are the key properties of 2-chloro-6-[(1-methylpiperidin-4-yl)methylsulfanyl]pyridine?
2-chloro-6-[(1-methylpiperidin-4-yl)methylsulfanyl]pyridine has a molecular weight of 256.80 g/mol, XLogP of 3.17, 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-4-yl)methylsulfanyl]pyridine is sourced from PubChem (CID 10491348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).