3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine

C12H15F3N2O — CID 21309637

IUPAC3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
SMILESCN1CCC[C@H]1COc1cncc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c1-17-4-2-3-10(17)8-18-11-5-9(6-16-7-11)12(13,14)15/h5-7,10H,2-4,8H2,1H3/t10-/m0/s1
InChIKeyWKNCGEBUTIJXEI-JTQLQIEISA-N
MW260.26 g/mol
LogP2.57
Rot. Bonds3

About 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine

3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine (PubChem CID 21309637) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
PubChem CID21309637
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
SMILESCN1CCC[C@H]1COc1cncc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c1-17-4-2-3-10(17)8-18-11-5-9(6-16-7-11)12(13,14)15/h5-7,10H,2-4,8H2,1H3/t10-/m0/s1
InChIKeyWKNCGEBUTIJXEI-JTQLQIEISA-N
XLogP2.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ispronicline
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A-84543
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TC-2559
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N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
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3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenyl-pyridine
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3-[[(2S)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine
CID 9861755
(2R)-1-[(6-chloro-5-methyl-3-pyridinyl)oxy]propan-2-amine
CID 9899128
(2R)-1-[(6-chloro-5-methyl-3-pyridinyl)oxy]-N-methylpropan-2-amine
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Txg75jse9G
CID 10012482
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenylethynyl-pyridine
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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine (CID 21309637) is 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine is CN1CCC[C@H]1COc1cncc(C(F)(F)F)c1.
What is the InChIKey of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is WKNCGEBUTIJXEI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-17-4-2-3-10(17)8-18-11-5-9(6-16-7-11)12(13,14)15/h5-7,10H,2-4,8H2,1H3/t10-/m0/s1.
What are the key properties of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine?
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 260.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 21309637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).