3-bromo-2-(thiolan-3-yloxy)pyridine

C9H10BrNOS — CID 126955056

IUPAC3-bromo-2-(thiolan-3-yloxy)pyridine
SMILESBrc1cccnc1OC1CCSC1
InChIInChI=1S/C9H10BrNOS/c10-8-2-1-4-11-9(8)12-7-3-5-13-6-7/h1-2,4,7H,3,5-6H2
InChIKeyAFUOUDUBCLVZKQ-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.73
Rot. Bonds2

About 3-bromo-2-(thiolan-3-yloxy)pyridine

3-bromo-2-(thiolan-3-yloxy)pyridine (PubChem CID 126955056) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is 3-bromo-2-(thiolan-3-yloxy)pyridine.

Molecular Properties

Compound Name3-bromo-2-(thiolan-3-yloxy)pyridine
PubChem CID126955056
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC Name3-bromo-2-(thiolan-3-yloxy)pyridine
SMILESBrc1cccnc1OC1CCSC1
InChIInChI=1S/C9H10BrNOS/c10-8-2-1-4-11-9(8)12-7-3-5-13-6-7/h1-2,4,7H,3,5-6H2
InChIKeyAFUOUDUBCLVZKQ-UHFFFAOYSA-N
XLogP2.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(thiolan-3-yloxy)pyridine?
The IUPAC name of 3-bromo-2-(thiolan-3-yloxy)pyridine (CID 126955056) is 3-bromo-2-(thiolan-3-yloxy)pyridine.
What is the SMILES notation for 3-bromo-2-(thiolan-3-yloxy)pyridine?
The canonical SMILES for 3-bromo-2-(thiolan-3-yloxy)pyridine is Brc1cccnc1OC1CCSC1.
What is the InChIKey of 3-bromo-2-(thiolan-3-yloxy)pyridine?
The InChIKey is AFUOUDUBCLVZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c10-8-2-1-4-11-9(8)12-7-3-5-13-6-7/h1-2,4,7H,3,5-6H2.
What are the key properties of 3-bromo-2-(thiolan-3-yloxy)pyridine?
3-bromo-2-(thiolan-3-yloxy)pyridine has a molecular weight of 260.16 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(thiolan-3-yloxy)pyridine is sourced from PubChem (CID 126955056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).