General Information of the Compound
Compound ID
CP0003732
Compound Name
(S)-3-(azetidin-2-ylmethoxy)-2-fluoropyridine
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Synonyms
(S)-3-(azetidin-2-ylmethoxy)-2-fluoropyridine
186588-98-7
2-Fluoro-3-(((2S)-2-azetidinyl)methoxy)pyridine
2-Fluoro-A 85380
2-Fluoro-A-85380
2-fluoro-3-(2(s)-azetidinylmethoxy)pyridine
3-((S)-1-Azetidin-2-ylmethoxy)-2-fluoro-pyridine
A-85380, 2-fluoro
ACM209530938
AKOS006285963
BDBM50066788
BDBM50263094
CHEMBL308538
CHEMBL449437
F-A 85380 Tartrate
F-A-85380
FCH858175
J1.007.103H
Pyridine, 3-((2S)-2-azetidin
Pyridine, 3-[(2S)-2-azetidinylmethoxy]-2-fluoro-
SCHEMBL1220341
UNII-XY1C8J4WGF
XY1C8J4WGF
ZINC6525315
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Structure
Formula
C9H11FN2O
Molecular Weight
182.198
Canonical SMILES
Fc1ncccc1OC[C@@H]1CCN1
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InChI
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
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InChIKey
GVOOYVOZPRROMP-ZETCQYMHSA-N
Physicochemical Property
logP
0.9614
Rotatable Bonds
3
Heavy Atom Count
13
Polar Areas
34.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
13

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 10241442
SID: 15243696
ChEMBL ID
CHEMBL308538
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06580, Neuronal acetylcholine receptor subunit alpha-2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 1.4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (S)-3-(azetidin-2-ylmethoxy)-2-fluoropyridine )
Drug Name (S)-3-(azetidin-2-ylmethoxy)-2-fluoropyridine