2-(azetidin-3-yloxy)-3-bromopyridine

C8H9BrN2O — CID 58547749

IUPAC2-(azetidin-3-yloxy)-3-bromopyridine
SMILESBrc1cccnc1OC1CNC1
InChIInChI=1S/C8H9BrN2O/c9-7-2-1-3-11-8(7)12-6-4-10-5-6/h1-3,6,10H,4-5H2
InChIKeyYNODYBUCGIXXOR-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.19
Rot. Bonds2

About 2-(azetidin-3-yloxy)-3-bromopyridine

2-(azetidin-3-yloxy)-3-bromopyridine (PubChem CID 58547749) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)-3-bromopyridine.

Molecular Properties

Compound Name2-(azetidin-3-yloxy)-3-bromopyridine
PubChem CID58547749
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name2-(azetidin-3-yloxy)-3-bromopyridine
SMILESBrc1cccnc1OC1CNC1
InChIInChI=1S/C8H9BrN2O/c9-7-2-1-3-11-8(7)12-6-4-10-5-6/h1-3,6,10H,4-5H2
InChIKeyYNODYBUCGIXXOR-UHFFFAOYSA-N
XLogP1.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxy)-3-bromopyridine?
The IUPAC name of 2-(azetidin-3-yloxy)-3-bromopyridine (CID 58547749) is 2-(azetidin-3-yloxy)-3-bromopyridine.
What is the SMILES notation for 2-(azetidin-3-yloxy)-3-bromopyridine?
The canonical SMILES for 2-(azetidin-3-yloxy)-3-bromopyridine is Brc1cccnc1OC1CNC1.
What is the InChIKey of 2-(azetidin-3-yloxy)-3-bromopyridine?
The InChIKey is YNODYBUCGIXXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c9-7-2-1-3-11-8(7)12-6-4-10-5-6/h1-3,6,10H,4-5H2.
What are the key properties of 2-(azetidin-3-yloxy)-3-bromopyridine?
2-(azetidin-3-yloxy)-3-bromopyridine has a molecular weight of 229.08 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxy)-3-bromopyridine is sourced from PubChem (CID 58547749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).