3-(azetidin-2-ylmethoxy)-2-fluoropyridine

C9H11FN2O — CID 22451666

IUPAC3-(azetidin-2-ylmethoxy)-2-fluoropyridine
SMILESFc1ncccc1OCC1CCN1
InChIInChI=1S/C9H11FN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2
InChIKeyGVOOYVOZPRROMP-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.96
Rot. Bonds3

About 3-(azetidin-2-ylmethoxy)-2-fluoropyridine

3-(azetidin-2-ylmethoxy)-2-fluoropyridine (PubChem CID 22451666) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 3-(azetidin-2-ylmethoxy)-2-fluoropyridine.

Molecular Properties

Compound Name3-(azetidin-2-ylmethoxy)-2-fluoropyridine
PubChem CID22451666
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name3-(azetidin-2-ylmethoxy)-2-fluoropyridine
SMILESFc1ncccc1OCC1CCN1
InChIInChI=1S/C9H11FN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2
InChIKeyGVOOYVOZPRROMP-UHFFFAOYSA-N
XLogP0.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pozanicline
CID 178052
Tebanicline
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Ispronicline
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5-(5-Methoxy-3-pyridinyl)-N-methyl-4-penten-2-amine, (2S,4E)-
CID 10262406
3-((2S)-2-Azetidinylmethoxy)-5-iodo-pyridine
CID 6604876
6-(5-(((S)-azetidin-2-yl)methoxy)pyridine-3-yl)hex-5-yn-1-ol
CID 11983356
3-Methoxypyridine
CID 23719
A-85380
CID 5310969
A-84543
CID 9794141
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
5-((S)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine
CID 9815575
2-Fluoro-A-85380
CID 10241442

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-2-ylmethoxy)-2-fluoropyridine?
The IUPAC name of 3-(azetidin-2-ylmethoxy)-2-fluoropyridine (CID 22451666) is 3-(azetidin-2-ylmethoxy)-2-fluoropyridine.
What is the SMILES notation for 3-(azetidin-2-ylmethoxy)-2-fluoropyridine?
The canonical SMILES for 3-(azetidin-2-ylmethoxy)-2-fluoropyridine is Fc1ncccc1OCC1CCN1.
What is the InChIKey of 3-(azetidin-2-ylmethoxy)-2-fluoropyridine?
The InChIKey is GVOOYVOZPRROMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-9-8(2-1-4-12-9)13-6-7-3-5-11-7/h1-2,4,7,11H,3,5-6H2.
What are the key properties of 3-(azetidin-2-ylmethoxy)-2-fluoropyridine?
3-(azetidin-2-ylmethoxy)-2-fluoropyridine has a molecular weight of 182.20 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-2-ylmethoxy)-2-fluoropyridine is sourced from PubChem (CID 22451666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).