3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine

C8H8BrClN2 — CID 130663764

IUPAC3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine
SMILESClc1cnc(Br)c([C@H]2CCN2)c1
InChIInChI=1S/C8H8BrClN2/c9-8-6(7-1-2-11-7)3-5(10)4-12-8/h3-4,7,11H,1-2H2/t7-/m1/s1
InChIKeyRGLXEFHTFIBPDN-SSDOTTSWSA-N
MW247.52 g/mol
LogP2.53
Rot. Bonds1

About 3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine

3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine (PubChem CID 130663764) has the molecular formula C8H8BrClN2 and a molecular weight of 247.52 g/mol. Its IUPAC name is 3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine.

Molecular Properties

Compound Name3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine
PubChem CID130663764
Molecular FormulaC8H8BrClN2
Molecular Weight247.52 g/mol
Exact Mass245.96
IUPAC Name3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine
SMILESClc1cnc(Br)c([C@H]2CCN2)c1
InChIInChI=1S/C8H8BrClN2/c9-8-6(7-1-2-11-7)3-5(10)4-12-8/h3-4,7,11H,1-2H2/t7-/m1/s1
InChIKeyRGLXEFHTFIBPDN-SSDOTTSWSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine?
The IUPAC name of 3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine (CID 130663764) is 3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine.
What is the SMILES notation for 3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine?
The canonical SMILES for 3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine is Clc1cnc(Br)c([C@H]2CCN2)c1.
What is the InChIKey of 3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine?
The InChIKey is RGLXEFHTFIBPDN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8BrClN2/c9-8-6(7-1-2-11-7)3-5(10)4-12-8/h3-4,7,11H,1-2H2/t7-/m1/s1.
What are the key properties of 3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine?
3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine has a molecular weight of 247.52 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-azetidin-2-yl]-2-bromo-5-chloropyridine is sourced from PubChem (CID 130663764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).