3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine;dihydrochloride

C10H13Cl2F3N2O — CID 21309681

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ncccc1OC[C@@H]1CCN1
InChIInChI=1S/C10H11F3N2O.2ClH/c11-10(12,13)9-8(2-1-4-15-9)16-6-7-3-5-14-7;;/h1-2,4,7,14H,3,5-6H2;2*1H/t7-;;/m0../s1
InChIKeyXMDHFYDEIBPMIV-KLXURFKVSA-N
MW305.13 g/mol
LogP2.68
Rot. Bonds3

About 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine;dihydrochloride

3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine;dihydrochloride (PubChem CID 21309681) has the molecular formula C10H13Cl2F3N2O and a molecular weight of 305.13 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine;dihydrochloride.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine;dihydrochloride
PubChem CID21309681
Molecular FormulaC10H13Cl2F3N2O
Molecular Weight305.13 g/mol
Exact Mass304.04
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ncccc1OC[C@@H]1CCN1
InChIInChI=1S/C10H11F3N2O.2ClH/c11-10(12,13)9-8(2-1-4-15-9)16-6-7-3-5-14-7;;/h1-2,4,7,14H,3,5-6H2;2*1H/t7-;;/m0../s1
InChIKeyXMDHFYDEIBPMIV-KLXURFKVSA-N
XLogP2.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pozanicline
CID 178052
Tebanicline
CID 3075702
Ispronicline
CID 9824145
3-((2S)-2-Azetidinylmethoxy)-5-iodo-pyridine
CID 6604876
A-85380
CID 5310969
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
5-((S)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine
CID 9815575
2-Fluoro-A-85380
CID 10241442
3-((S)-Azetidin-2-yloxy)-5-iodo-pyridine
CID 44297909
2-Fluoro-3-(2S-azetidinylmethoxy)pyridine, F-18
CID 450860
N-methyl-2-(pyridin-3-yloxy)ethanamine
CID 9793858
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine;dihydrochloride?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine;dihydrochloride (CID 21309681) is 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine;dihydrochloride.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine;dihydrochloride?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine;dihydrochloride is Cl.Cl.FC(F)(F)c1ncccc1OC[C@@H]1CCN1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine;dihydrochloride?
The InChIKey is XMDHFYDEIBPMIV-KLXURFKVSA-N. The full InChI is InChI=1S/C10H11F3N2O.2ClH/c11-10(12,13)9-8(2-1-4-15-9)16-6-7-3-5-14-7;;/h1-2,4,7,14H,3,5-6H2;2*1H/t7-;;/m0../s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine;dihydrochloride?
3-[[(2S)-azetidin-2-yl]methoxy]-2-(trifluoromethyl)pyridine;dihydrochloride has a molecular weight of 305.13 g/mol, XLogP of 2.68, 3 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]-2-(trifluoromethyl)pyridine;dihydrochloride is sourced from PubChem (CID 21309681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).