3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine

C12H17BrN2S — CID 146573247

IUPAC3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine
SMILESCCSN1CCCC(c2cncc(Br)c2)C1
InChIInChI=1S/C12H17BrN2S/c1-2-16-15-5-3-4-10(9-15)11-6-12(13)8-14-7-11/h6-8,10H,2-5,9H2,1H3
InChIKeyDAFGGDLXUOKOJU-UHFFFAOYSA-N
MW301.25 g/mol
LogP3.69
Rot. Bonds3

About 3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine

3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine (PubChem CID 146573247) has the molecular formula C12H17BrN2S and a molecular weight of 301.25 g/mol. Its IUPAC name is 3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine
PubChem CID146573247
Molecular FormulaC12H17BrN2S
Molecular Weight301.25 g/mol
Exact Mass300.03
IUPAC Name3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine
SMILESCCSN1CCCC(c2cncc(Br)c2)C1
InChIInChI=1S/C12H17BrN2S/c1-2-16-15-5-3-4-10(9-15)11-6-12(13)8-14-7-11/h6-8,10H,2-5,9H2,1H3
InChIKeyDAFGGDLXUOKOJU-UHFFFAOYSA-N
XLogP3.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-(1-ethylsulfinylpiperidin-4-yl)pyridine
CID 146573245
3-phenyl-1-propylsulfanylpiperidine
CID 130223294
3-(cyclooctatetraenyl)-1-ethylsulfanylpiperidine
CID 123184454
3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine
CID 146139589
1-ethylsulfanyl-3-methylpiperidine
CID 142366557
(5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 134160568
5-(1-methylpiperidin-3-yl)pyridin-3-amine
CID 115018770
3-bromo-5-(2-ethylpyrrolidin-1-yl)pyridine
CID 104531587
[2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine
CID 113469892
5-[[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]methyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 166256384
5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid
CID 115032031
N-[2-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 166256385

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine?
The IUPAC name of 3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine (CID 146573247) is 3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine?
The canonical SMILES for 3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine is CCSN1CCCC(c2cncc(Br)c2)C1.
What is the InChIKey of 3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine?
The InChIKey is DAFGGDLXUOKOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2S/c1-2-16-15-5-3-4-10(9-15)11-6-12(13)8-14-7-11/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine?
3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine has a molecular weight of 301.25 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1-ethylsulfanylpiperidin-3-yl)pyridine is sourced from PubChem (CID 146573247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).