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

C8H9FN2 — CID 55278495

IUPAC3-[(2S)-azetidin-2-yl]-2-fluoropyridine
SMILESFc1ncccc1[C@@H]1CCN1
InChIInChI=1S/C8H9FN2/c9-8-6(2-1-4-11-8)7-3-5-10-7/h1-2,4,7,10H,3,5H2/t7-/m0/s1
InChIKeyHMFZURMPIZJVDN-ZETCQYMHSA-N
MW152.17 g/mol
LogP1.26
Rot. Bonds1

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

3-[(2S)-azetidin-2-yl]-2-fluoropyridine (PubChem CID 55278495) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 3-[(2S)-azetidin-2-yl]-2-fluoropyridine.

Molecular Properties

Compound Name3-[(2S)-azetidin-2-yl]-2-fluoropyridine
PubChem CID55278495
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name3-[(2S)-azetidin-2-yl]-2-fluoropyridine
SMILESFc1ncccc1[C@@H]1CCN1
InChIInChI=1S/C8H9FN2/c9-8-6(2-1-4-11-8)7-3-5-10-7/h1-2,4,7,10H,3,5H2/t7-/m0/s1
InChIKeyHMFZURMPIZJVDN-ZETCQYMHSA-N
XLogP1.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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]-2-fluoropyridine?
The IUPAC name of 3-[(2S)-azetidin-2-yl]-2-fluoropyridine (CID 55278495) is 3-[(2S)-azetidin-2-yl]-2-fluoropyridine.
What is the SMILES notation for 3-[(2S)-azetidin-2-yl]-2-fluoropyridine?
The canonical SMILES for 3-[(2S)-azetidin-2-yl]-2-fluoropyridine is Fc1ncccc1[C@@H]1CCN1.
What is the InChIKey of 3-[(2S)-azetidin-2-yl]-2-fluoropyridine?
The InChIKey is HMFZURMPIZJVDN-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H9FN2/c9-8-6(2-1-4-11-8)7-3-5-10-7/h1-2,4,7,10H,3,5H2/t7-/m0/s1.
What are the key properties of 3-[(2S)-azetidin-2-yl]-2-fluoropyridine?
3-[(2S)-azetidin-2-yl]-2-fluoropyridine has a molecular weight of 152.17 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-azetidin-2-yl]-2-fluoropyridine is sourced from PubChem (CID 55278495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).