3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine

C9H11FN2O — CID 46182395

IUPAC3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine
SMILES[18F]c1ncccc1OC[C@H]1CCN1
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/t7-/m1/s1/i10-1
InChIKeyGVOOYVOZPRROMP-MNBOVWEWSA-N
MW181.20 g/mol
LogP0.96
Rot. Bonds3

About 3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine

3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine (PubChem CID 46182395) has the molecular formula C9H11FN2O and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine.

Molecular Properties

Compound Name3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine
PubChem CID46182395
Molecular FormulaC9H11FN2O
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine
SMILES[18F]c1ncccc1OC[C@H]1CCN1
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/t7-/m1/s1/i10-1
InChIKeyGVOOYVOZPRROMP-MNBOVWEWSA-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 ≤ 500181.20
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

3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine
CID 10241442
2-fluoro-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 146447660
3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride
CID 21309657
3-[[(2S)-azetidin-2-yl]methoxy]pyridin-2-amine;hydrochloride
CID 141001477
2-[(4-fluorophenoxy)methyl]azetidine
CID 115070930
2-methoxy-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 122208651
3-[[(2R)-azetidin-2-yl]methoxy]pyridine;dihydrochloride
CID 18391704
2-[(4-chloro-2-fluorophenoxy)methyl]azetidine
CID 84681387
3-ethoxy-2-fluoropyridine
CID 11355527
3-[(2S)-azetidin-2-yl]-2-fluoropyridine
CID 55278495
ethane;3-ethoxy-2-fluoropyridine
CID 144753234
6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 177332339

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine?
The IUPAC name of 3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine (CID 46182395) is 3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine.
What is the SMILES notation for 3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine?
The canonical SMILES for 3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine is [18F]c1ncccc1OC[C@H]1CCN1.
What is the InChIKey of 3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine?
The InChIKey is GVOOYVOZPRROMP-MNBOVWEWSA-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/t7-/m1/s1/i10-1.
What are the key properties of 3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine?
3-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine has a molecular weight of 181.20 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-[[(2R)-azetidin-2-yl]methoxy]-2-(18F)fluoropyridine is sourced from PubChem (CID 46182395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).