4-(azetidin-3-yloxy)pyridine;dihydrochloride

C8H12Cl2N2O — CID 50988281

IUPAC4-(azetidin-3-yloxy)pyridine;dihydrochloride
SMILESCl.Cl.c1cc(OC2CNC2)ccn1
InChIInChI=1S/C8H10N2O.2ClH/c1-3-9-4-2-7(1)11-8-5-10-6-8;;/h1-4,8,10H,5-6H2;2*1H
InChIKeyFHXCDMYIFZRIMQ-UHFFFAOYSA-N
MW223.10 g/mol
LogP1.28
Rot. Bonds2

About 4-(azetidin-3-yloxy)pyridine;dihydrochloride

4-(azetidin-3-yloxy)pyridine;dihydrochloride (PubChem CID 50988281) has the molecular formula C8H12Cl2N2O and a molecular weight of 223.10 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)pyridine;dihydrochloride.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)pyridine;dihydrochloride
PubChem CID50988281
Molecular FormulaC8H12Cl2N2O
Molecular Weight223.10 g/mol
Exact Mass222.03
IUPAC Name4-(azetidin-3-yloxy)pyridine;dihydrochloride
SMILESCl.Cl.c1cc(OC2CNC2)ccn1
InChIInChI=1S/C8H10N2O.2ClH/c1-3-9-4-2-7(1)11-8-5-10-6-8;;/h1-4,8,10H,5-6H2;2*1H
InChIKeyFHXCDMYIFZRIMQ-UHFFFAOYSA-N
XLogP1.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.10
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)pyridine;dihydrochloride?
The IUPAC name of 4-(azetidin-3-yloxy)pyridine;dihydrochloride (CID 50988281) is 4-(azetidin-3-yloxy)pyridine;dihydrochloride.
What is the SMILES notation for 4-(azetidin-3-yloxy)pyridine;dihydrochloride?
The canonical SMILES for 4-(azetidin-3-yloxy)pyridine;dihydrochloride is Cl.Cl.c1cc(OC2CNC2)ccn1.
What is the InChIKey of 4-(azetidin-3-yloxy)pyridine;dihydrochloride?
The InChIKey is FHXCDMYIFZRIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.2ClH/c1-3-9-4-2-7(1)11-8-5-10-6-8;;/h1-4,8,10H,5-6H2;2*1H.
What are the key properties of 4-(azetidin-3-yloxy)pyridine;dihydrochloride?
4-(azetidin-3-yloxy)pyridine;dihydrochloride has a molecular weight of 223.10 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)pyridine;dihydrochloride is sourced from PubChem (CID 50988281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).