2-[2-(4-bromophenyl)sulfanylethyl]pyridine

C13H12BrNS — CID 872436

IUPAC2-[2-(4-bromophenyl)sulfanylethyl]pyridine
SMILESBrc1ccc(SCCc2ccccn2)cc1
InChIInChI=1S/C13H12BrNS/c14-11-4-6-13(7-5-11)16-10-8-12-3-1-2-9-15-12/h1-7,9H,8,10H2
InChIKeyRMWWQVRYGUIUIG-UHFFFAOYSA-N
MW294.22 g/mol
LogP4.18
Rot. Bonds4

About 2-[2-(4-bromophenyl)sulfanylethyl]pyridine

2-[2-(4-bromophenyl)sulfanylethyl]pyridine (PubChem CID 872436) has the molecular formula C13H12BrNS and a molecular weight of 294.22 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)sulfanylethyl]pyridine.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)sulfanylethyl]pyridine
PubChem CID872436
Molecular FormulaC13H12BrNS
Molecular Weight294.22 g/mol
Exact Mass292.99
IUPAC Name2-[2-(4-bromophenyl)sulfanylethyl]pyridine
SMILESBrc1ccc(SCCc2ccccn2)cc1
InChIInChI=1S/C13H12BrNS/c14-11-4-6-13(7-5-11)16-10-8-12-3-1-2-9-15-12/h1-7,9H,8,10H2
InChIKeyRMWWQVRYGUIUIG-UHFFFAOYSA-N
XLogP4.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)sulfanylethyl]pyridine?
The IUPAC name of 2-[2-(4-bromophenyl)sulfanylethyl]pyridine (CID 872436) is 2-[2-(4-bromophenyl)sulfanylethyl]pyridine.
What is the SMILES notation for 2-[2-(4-bromophenyl)sulfanylethyl]pyridine?
The canonical SMILES for 2-[2-(4-bromophenyl)sulfanylethyl]pyridine is Brc1ccc(SCCc2ccccn2)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)sulfanylethyl]pyridine?
The InChIKey is RMWWQVRYGUIUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNS/c14-11-4-6-13(7-5-11)16-10-8-12-3-1-2-9-15-12/h1-7,9H,8,10H2.
What are the key properties of 2-[2-(4-bromophenyl)sulfanylethyl]pyridine?
2-[2-(4-bromophenyl)sulfanylethyl]pyridine has a molecular weight of 294.22 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)sulfanylethyl]pyridine is sourced from PubChem (CID 872436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).