5-bromo-2-(cyclohexylsulfanylmethyl)pyridine

C12H16BrNS — CID 115622306

IUPAC5-bromo-2-(cyclohexylsulfanylmethyl)pyridine
SMILESBrc1ccc(CSC2CCCCC2)nc1
InChIInChI=1S/C12H16BrNS/c13-10-6-7-11(14-8-10)9-15-12-4-2-1-3-5-12/h6-8,12H,1-5,9H2
InChIKeyAAMIFQSYNROYBU-UHFFFAOYSA-N
MW286.24 g/mol
LogP4.41
Rot. Bonds3

About 5-bromo-2-(cyclohexylsulfanylmethyl)pyridine

5-bromo-2-(cyclohexylsulfanylmethyl)pyridine (PubChem CID 115622306) has the molecular formula C12H16BrNS and a molecular weight of 286.24 g/mol. Its IUPAC name is 5-bromo-2-(cyclohexylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(cyclohexylsulfanylmethyl)pyridine
PubChem CID115622306
Molecular FormulaC12H16BrNS
Molecular Weight286.24 g/mol
Exact Mass285.02
IUPAC Name5-bromo-2-(cyclohexylsulfanylmethyl)pyridine
SMILESBrc1ccc(CSC2CCCCC2)nc1
InChIInChI=1S/C12H16BrNS/c13-10-6-7-11(14-8-10)9-15-12-4-2-1-3-5-12/h6-8,12H,1-5,9H2
InChIKeyAAMIFQSYNROYBU-UHFFFAOYSA-N
XLogP4.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclohexylsulfanylmethyl)pyridine?
The IUPAC name of 5-bromo-2-(cyclohexylsulfanylmethyl)pyridine (CID 115622306) is 5-bromo-2-(cyclohexylsulfanylmethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(cyclohexylsulfanylmethyl)pyridine?
The canonical SMILES for 5-bromo-2-(cyclohexylsulfanylmethyl)pyridine is Brc1ccc(CSC2CCCCC2)nc1.
What is the InChIKey of 5-bromo-2-(cyclohexylsulfanylmethyl)pyridine?
The InChIKey is AAMIFQSYNROYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNS/c13-10-6-7-11(14-8-10)9-15-12-4-2-1-3-5-12/h6-8,12H,1-5,9H2.
What are the key properties of 5-bromo-2-(cyclohexylsulfanylmethyl)pyridine?
5-bromo-2-(cyclohexylsulfanylmethyl)pyridine has a molecular weight of 286.24 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclohexylsulfanylmethyl)pyridine is sourced from PubChem (CID 115622306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).