3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride

C9H13Cl3N2O — CID 22451612

IUPAC3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride
SMILESCl.Cl.Clc1cncc(OCN2CCC2)c1
InChIInChI=1S/C9H11ClN2O.2ClH/c10-8-4-9(6-11-5-8)13-7-12-2-1-3-12;;/h4-6H,1-3,7H2;2*1H
InChIKeyFQRUPJBBYPAOSY-UHFFFAOYSA-N
MW271.57 g/mol
LogP2.62
Rot. Bonds3

About 3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride

3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride (PubChem CID 22451612) has the molecular formula C9H13Cl3N2O and a molecular weight of 271.57 g/mol. Its IUPAC name is 3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride.

Molecular Properties

Compound Name3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride
PubChem CID22451612
Molecular FormulaC9H13Cl3N2O
Molecular Weight271.57 g/mol
Exact Mass270.01
IUPAC Name3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride
SMILESCl.Cl.Clc1cncc(OCN2CCC2)c1
InChIInChI=1S/C9H11ClN2O.2ClH/c10-8-4-9(6-11-5-8)13-7-12-2-1-3-12;;/h4-6H,1-3,7H2;2*1H
InChIKeyFQRUPJBBYPAOSY-UHFFFAOYSA-N
XLogP2.62
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.57
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride?
The IUPAC name of 3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride (CID 22451612) is 3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride.
What is the SMILES notation for 3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride?
The canonical SMILES for 3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride is Cl.Cl.Clc1cncc(OCN2CCC2)c1.
What is the InChIKey of 3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride?
The InChIKey is FQRUPJBBYPAOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O.2ClH/c10-8-4-9(6-11-5-8)13-7-12-2-1-3-12;;/h4-6H,1-3,7H2;2*1H.
What are the key properties of 3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride?
3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride has a molecular weight of 271.57 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride is sourced from PubChem (CID 22451612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).