3-(azetidin-3-yl)-5-fluoropyridine;dihydrochloride

C8H11Cl2FN2 — CID 155820953

IUPAC3-(azetidin-3-yl)-5-fluoropyridine;dihydrochloride
SMILESCl.Cl.Fc1cncc(C2CNC2)c1
InChIInChI=1S/C8H9FN2.2ClH/c9-8-1-6(2-11-5-8)7-3-10-4-7;;/h1-2,5,7,10H,3-4H2;2*1H
InChIKeyGQUZVYOWWLZLHI-UHFFFAOYSA-N
MW225.09 g/mol
LogP1.75
Rot. Bonds1

About 3-(azetidin-3-yl)-5-fluoropyridine;dihydrochloride

3-(azetidin-3-yl)-5-fluoropyridine;dihydrochloride (PubChem CID 155820953) has the molecular formula C8H11Cl2FN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-5-fluoropyridine;dihydrochloride.

Molecular Properties

Compound Name3-(azetidin-3-yl)-5-fluoropyridine;dihydrochloride
PubChem CID155820953
Molecular FormulaC8H11Cl2FN2
Molecular Weight225.09 g/mol
Exact Mass224.03
IUPAC Name3-(azetidin-3-yl)-5-fluoropyridine;dihydrochloride
SMILESCl.Cl.Fc1cncc(C2CNC2)c1
InChIInChI=1S/C8H9FN2.2ClH/c9-8-1-6(2-11-5-8)7-3-10-4-7;;/h1-2,5,7,10H,3-4H2;2*1H
InChIKeyGQUZVYOWWLZLHI-UHFFFAOYSA-N
XLogP1.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-5-fluoropyridine;dihydrochloride?
The IUPAC name of 3-(azetidin-3-yl)-5-fluoropyridine;dihydrochloride (CID 155820953) is 3-(azetidin-3-yl)-5-fluoropyridine;dihydrochloride.
What is the SMILES notation for 3-(azetidin-3-yl)-5-fluoropyridine;dihydrochloride?
The canonical SMILES for 3-(azetidin-3-yl)-5-fluoropyridine;dihydrochloride is Cl.Cl.Fc1cncc(C2CNC2)c1.
What is the InChIKey of 3-(azetidin-3-yl)-5-fluoropyridine;dihydrochloride?
The InChIKey is GQUZVYOWWLZLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2.2ClH/c9-8-1-6(2-11-5-8)7-3-10-4-7;;/h1-2,5,7,10H,3-4H2;2*1H.
What are the key properties of 3-(azetidin-3-yl)-5-fluoropyridine;dihydrochloride?
3-(azetidin-3-yl)-5-fluoropyridine;dihydrochloride has a molecular weight of 225.09 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-5-fluoropyridine;dihydrochloride is sourced from PubChem (CID 155820953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).