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

C12H15F3N2O — CID 170977357

IUPAC2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
SMILESC[C@@]1(COc2ccc(C(F)(F)F)cn2)CCCN1
InChIInChI=1S/C12H15F3N2O/c1-11(5-2-6-17-11)8-18-10-4-3-9(7-16-10)12(13,14)15/h3-4,7,17H,2,5-6,8H2,1H3/t11-/m0/s1
InChIKeyCOJMGCZOBZXRDM-NSHDSACASA-N
MW260.26 g/mol
LogP2.62
Rot. Bonds3

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

2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine (PubChem CID 170977357) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
PubChem CID170977357
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
SMILESC[C@@]1(COc2ccc(C(F)(F)F)cn2)CCCN1
InChIInChI=1S/C12H15F3N2O/c1-11(5-2-6-17-11)8-18-10-4-3-9(7-16-10)12(13,14)15/h3-4,7,17H,2,5-6,8H2,1H3/t11-/m0/s1
InChIKeyCOJMGCZOBZXRDM-NSHDSACASA-N
XLogP2.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine
CID 166826439
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058979
2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
CID 129204089
cis-(1R,2S)-4-[(propan-2-ylamino)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentane-1,2-diol;dihydrochloride
CID 146119540
5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine
CID 57449137
(7R)-7-methyl-2-nitro-7-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-5,6-dihydroimidazo[2,1-b][1,3]oxazine
CID 166628268
1-tert-butyl-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]phenyl]methyl]piperazine
CID 141305143
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 22175085
(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine
CID 97179058
[(2S)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170978088
2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine
CID 162563286
(2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 124570457

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine (CID 170977357) is 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine is C[C@@]1(COc2ccc(C(F)(F)F)cn2)CCCN1.
What is the InChIKey of 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is COJMGCZOBZXRDM-NSHDSACASA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-11(5-2-6-17-11)8-18-10-4-3-9(7-16-10)12(13,14)15/h3-4,7,17H,2,5-6,8H2,1H3/t11-/m0/s1.
What are the key properties of 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine?
2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 260.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 170977357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).