3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine

C12H17FN2O — CID 54543306

IUPAC3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCCc1cc(OC[C@@H]2CCN2C)cnc1F
InChIInChI=1S/C12H17FN2O/c1-3-9-6-11(7-14-12(9)13)16-8-10-4-5-15(10)2/h6-7,10H,3-5,8H2,1-2H3/t10-/m0/s1
InChIKeyZETNBLSHTFGERH-JTQLQIEISA-N
MW224.28 g/mol
LogP1.87
Rot. Bonds4

About 3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine

3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (PubChem CID 54543306) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
PubChem CID54543306
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
SMILESCCc1cc(OC[C@@H]2CCN2C)cnc1F
InChIInChI=1S/C12H17FN2O/c1-3-9-6-11(7-14-12(9)13)16-8-10-4-5-15(10)2/h6-7,10H,3-5,8H2,1-2H3/t10-/m0/s1
InChIKeyZETNBLSHTFGERH-JTQLQIEISA-N
XLogP1.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine
CID 54448994
2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54367867
2-fluoro-3-methoxy-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54017583
3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 54384732
2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-prop-2-enylpyridine
CID 22961888
5-ethoxy-2,3-bis[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
CID 54236193
2-methyl-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine
CID 18391691
5-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-ol
CID 122208649
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride
CID 67585227
3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 90729487
3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine
CID 67615056
2-chloro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]-3-phenylpyridine
CID 22872636

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine (CID 54543306) is 3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is CCc1cc(OC[C@@H]2CCN2C)cnc1F.
What is the InChIKey of 3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
The InChIKey is ZETNBLSHTFGERH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-9-6-11(7-14-12(9)13)16-8-10-4-5-15(10)2/h6-7,10H,3-5,8H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine?
3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine has a molecular weight of 224.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-fluoro-5-[[(2S)-1-methylazetidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 54543306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).