3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine

C9H11FN2O — CID 10241442

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine
SMILESFc1ncccc1OC[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-/m0/s1
InChIKeyGVOOYVOZPRROMP-ZETCQYMHSA-N
MW182.20 g/mol
LogP0.96
Rot. Bonds3

About 3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine

3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine (PubChem CID 10241442) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine
PubChem CID10241442
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine
SMILESFc1ncccc1OC[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-/m0/s1
InChIKeyGVOOYVOZPRROMP-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine (CID 10241442) is 3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine is Fc1ncccc1OC[C@@H]1CCN1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine?
The InChIKey is GVOOYVOZPRROMP-ZETCQYMHSA-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-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-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-[[(2S)-azetidin-2-yl]methoxy]-2-fluoropyridine is sourced from PubChem (CID 10241442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).