5-bromo-2-(oxan-4-ylsulfanyl)pyridine

C10H12BrNOS — CID 62991580

IUPAC5-bromo-2-(oxan-4-ylsulfanyl)pyridine
SMILESBrc1ccc(SC2CCOCC2)nc1
InChIInChI=1S/C10H12BrNOS/c11-8-1-2-10(12-7-8)14-9-3-5-13-6-4-9/h1-2,7,9H,3-6H2
InChIKeyRYXANAINAMQCCL-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.12
Rot. Bonds2

About 5-bromo-2-(oxan-4-ylsulfanyl)pyridine

5-bromo-2-(oxan-4-ylsulfanyl)pyridine (PubChem CID 62991580) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is 5-bromo-2-(oxan-4-ylsulfanyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(oxan-4-ylsulfanyl)pyridine
PubChem CID62991580
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name5-bromo-2-(oxan-4-ylsulfanyl)pyridine
SMILESBrc1ccc(SC2CCOCC2)nc1
InChIInChI=1S/C10H12BrNOS/c11-8-1-2-10(12-7-8)14-9-3-5-13-6-4-9/h1-2,7,9H,3-6H2
InChIKeyRYXANAINAMQCCL-UHFFFAOYSA-N
XLogP3.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(oxan-4-ylsulfanyl)pyridine?
The IUPAC name of 5-bromo-2-(oxan-4-ylsulfanyl)pyridine (CID 62991580) is 5-bromo-2-(oxan-4-ylsulfanyl)pyridine.
What is the SMILES notation for 5-bromo-2-(oxan-4-ylsulfanyl)pyridine?
The canonical SMILES for 5-bromo-2-(oxan-4-ylsulfanyl)pyridine is Brc1ccc(SC2CCOCC2)nc1.
What is the InChIKey of 5-bromo-2-(oxan-4-ylsulfanyl)pyridine?
The InChIKey is RYXANAINAMQCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c11-8-1-2-10(12-7-8)14-9-3-5-13-6-4-9/h1-2,7,9H,3-6H2.
What are the key properties of 5-bromo-2-(oxan-4-ylsulfanyl)pyridine?
5-bromo-2-(oxan-4-ylsulfanyl)pyridine has a molecular weight of 274.18 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(oxan-4-ylsulfanyl)pyridine is sourced from PubChem (CID 62991580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).