5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine

C12H17BrN2S — CID 105061357

IUPAC5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine
SMILESBrc1ccc(SCCC2CCNCC2)nc1
InChIInChI=1S/C12H17BrN2S/c13-11-1-2-12(15-9-11)16-8-5-10-3-6-14-7-4-10/h1-2,9-10,14H,3-8H2
InChIKeyJKROPSPCKDCGKA-UHFFFAOYSA-N
MW301.25 g/mol
LogP3.33
Rot. Bonds4

About 5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine

5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine (PubChem CID 105061357) has the molecular formula C12H17BrN2S and a molecular weight of 301.25 g/mol. Its IUPAC name is 5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine
PubChem CID105061357
Molecular FormulaC12H17BrN2S
Molecular Weight301.25 g/mol
Exact Mass300.03
IUPAC Name5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine
SMILESBrc1ccc(SCCC2CCNCC2)nc1
InChIInChI=1S/C12H17BrN2S/c13-11-1-2-12(15-9-11)16-8-5-10-3-6-14-7-4-10/h1-2,9-10,14H,3-8H2
InChIKeyJKROPSPCKDCGKA-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol
CID 43446269
1-amino-2-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide
CID 79582299
5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71636378
5-[(5-bromo-2-pyridinyl)sulfanyl]-2,2-dimethylpentan-1-amine
CID 65255657
4-[2-(4-bromophenoxy)ethyl]piperidine
CID 56830278
5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine
CID 118498951
4-methyl-2-(2-piperidin-4-ylethylsulfanyl)pyrimidine;hydrochloride
CID 72716663
2-(2-piperidin-4-ylethylsulfanyl)pyrimidine-4,6-diamine
CID 105061330
4-[(5-bromo-2-pyridinyl)sulfanyl]butan-2-one
CID 61339572
5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride
CID 71636388
4-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine;hydrochloride
CID 72716656
5-[(5-bromo-2-pyridinyl)sulfanyl]pentan-2-one
CID 61339408

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine?
The IUPAC name of 5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine (CID 105061357) is 5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine.
What is the SMILES notation for 5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine?
The canonical SMILES for 5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine is Brc1ccc(SCCC2CCNCC2)nc1.
What is the InChIKey of 5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine?
The InChIKey is JKROPSPCKDCGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2S/c13-11-1-2-12(15-9-11)16-8-5-10-3-6-14-7-4-10/h1-2,9-10,14H,3-8H2.
What are the key properties of 5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine?
5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine has a molecular weight of 301.25 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-piperidin-4-ylethylsulfanyl)pyridine is sourced from PubChem (CID 105061357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).