3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine

C12H17FN2O — CID 123202222

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine
SMILESFCCCc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C12H17FN2O/c13-4-1-2-10-6-12(8-14-7-10)16-9-11-3-5-15-11/h6-8,11,15H,1-5,9H2/t11-/m0/s1
InChIKeyYWGWQDYPMLAWGB-NSHDSACASA-N
MW224.28 g/mol
LogP1.72
Rot. Bonds6

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine

3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine (PubChem CID 123202222) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine
PubChem CID123202222
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine
SMILESFCCCc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C12H17FN2O/c13-4-1-2-10-6-12(8-14-7-10)16-9-11-3-5-15-11/h6-8,11,15H,1-5,9H2/t11-/m0/s1
InChIKeyYWGWQDYPMLAWGB-NSHDSACASA-N
XLogP1.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine (CID 123202222) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine is FCCCc1cncc(OC[C@@H]2CCN2)c1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine?
The InChIKey is YWGWQDYPMLAWGB-NSHDSACASA-N. The full InChI is InChI=1S/C12H17FN2O/c13-4-1-2-10-6-12(8-14-7-10)16-9-11-3-5-15-11/h6-8,11,15H,1-5,9H2/t11-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine has a molecular weight of 224.28 g/mol, XLogP of 1.72, 6 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]-5-(3-fluoropropyl)pyridine is sourced from PubChem (CID 123202222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).