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

C15H16N2O — CID 22872635

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine
SMILESc1ccc(-c2cncc(OC[C@@H]3CCN3)c2)cc1
InChIInChI=1S/C15H16N2O/c1-2-4-12(5-3-1)13-8-15(10-16-9-13)18-11-14-6-7-17-14/h1-5,8-10,14,17H,6-7,11H2/t14-/m0/s1
InChIKeyHGYQMXVUXJSHPG-AWEZNQCLSA-N
MW240.31 g/mol
LogP2.49
Rot. Bonds4

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

3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine (PubChem CID 22872635) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine
PubChem CID22872635
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine
SMILESc1ccc(-c2cncc(OC[C@@H]3CCN3)c2)cc1
InChIInChI=1S/C15H16N2O/c1-2-4-12(5-3-1)13-8-15(10-16-9-13)18-11-14-6-7-17-14/h1-5,8-10,14,17H,6-7,11H2/t14-/m0/s1
InChIKeyHGYQMXVUXJSHPG-AWEZNQCLSA-N
XLogP2.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride
CID 68613292
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908
(2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline
CID 59371322
3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol
CID 75168462
5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine
CID 22961876
2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine
CID 75168438
3-[[(2R)-azetidin-2-yl]methoxy]pyridine;dihydrochloride
CID 18391704
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]pyridine
CID 59371464
3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol
CID 59371346
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine
CID 68613474
3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine
CID 123202222
3-(azetidin-2-ylmethoxy)-5-[2-(3-ethylphenyl)ethyl]pyridine
CID 90726650

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine (CID 22872635) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine is c1ccc(-c2cncc(OC[C@@H]3CCN3)c2)cc1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine?
The InChIKey is HGYQMXVUXJSHPG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-4-12(5-3-1)13-8-15(10-16-9-13)18-11-14-6-7-17-14/h1-5,8-10,14,17H,6-7,11H2/t14-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine has a molecular weight of 240.31 g/mol, XLogP of 2.49, 4 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-phenylpyridine is sourced from PubChem (CID 22872635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).