2-(azetidin-3-ylidenemethyl)-5-bromopyridine

C9H9BrN2 — CID 104813673

IUPAC2-(azetidin-3-ylidenemethyl)-5-bromopyridine
SMILESBrc1ccc(C=C2CNC2)nc1
InChIInChI=1S/C9H9BrN2/c10-8-1-2-9(12-6-8)3-7-4-11-5-7/h1-3,6,11H,4-5H2
InChIKeyHOJJAQYPXCBSHH-UHFFFAOYSA-N
MW225.09 g/mol
LogP1.83
Rot. Bonds1

About 2-(azetidin-3-ylidenemethyl)-5-bromopyridine

2-(azetidin-3-ylidenemethyl)-5-bromopyridine (PubChem CID 104813673) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 2-(azetidin-3-ylidenemethyl)-5-bromopyridine.

Molecular Properties

Compound Name2-(azetidin-3-ylidenemethyl)-5-bromopyridine
PubChem CID104813673
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name2-(azetidin-3-ylidenemethyl)-5-bromopyridine
SMILESBrc1ccc(C=C2CNC2)nc1
InChIInChI=1S/C9H9BrN2/c10-8-1-2-9(12-6-8)3-7-4-11-5-7/h1-3,6,11H,4-5H2
InChIKeyHOJJAQYPXCBSHH-UHFFFAOYSA-N
XLogP1.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidenemethyl)-5-bromopyridine?
The IUPAC name of 2-(azetidin-3-ylidenemethyl)-5-bromopyridine (CID 104813673) is 2-(azetidin-3-ylidenemethyl)-5-bromopyridine.
What is the SMILES notation for 2-(azetidin-3-ylidenemethyl)-5-bromopyridine?
The canonical SMILES for 2-(azetidin-3-ylidenemethyl)-5-bromopyridine is Brc1ccc(C=C2CNC2)nc1.
What is the InChIKey of 2-(azetidin-3-ylidenemethyl)-5-bromopyridine?
The InChIKey is HOJJAQYPXCBSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c10-8-1-2-9(12-6-8)3-7-4-11-5-7/h1-3,6,11H,4-5H2.
What are the key properties of 2-(azetidin-3-ylidenemethyl)-5-bromopyridine?
2-(azetidin-3-ylidenemethyl)-5-bromopyridine has a molecular weight of 225.09 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidenemethyl)-5-bromopyridine is sourced from PubChem (CID 104813673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).