methyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate

C19H19F3N2O3 — CID 170364130

IUPACmethyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C19H19F3N2O3/c1-26-18(25)15-6-4-8-17(23-15)24-10-9-13(11-24)12-27-16-7-3-2-5-14(16)19(20,21)22/h2-8,13H,9-12H2,1H3
InChIKeyGIUKWSULDZECBX-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.79
Rot. Bonds5

About methyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate

methyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate (PubChem CID 170364130) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is methyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate
PubChem CID170364130
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Namemethyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C19H19F3N2O3/c1-26-18(25)15-6-4-8-17(23-15)24-10-9-13(11-24)12-27-16-7-3-2-5-14(16)19(20,21)22/h2-8,13H,9-12H2,1H3
InChIKeyGIUKWSULDZECBX-UHFFFAOYSA-N
XLogP3.79
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 24902819
methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate
CID 170364090
2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine
CID 170363947
methyl 1-methyl-3-[[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidine-1-carbonyl]amino]pyrazole-5-carboxylate
CID 166273049
tert-butyl 3-[[2-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 169223787
tert-butyl (3R)-3-[[2-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 175699659
methyl 6-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxylate
CID 123942155
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 55652389
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 114059817
oxiran-2-yl-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 154880254
methyl 6-methyl-2-[3-[2-(trifluoromethyl)phenoxy]azetidin-1-yl]pyrimidine-4-carboxylate
CID 163972344
2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid
CID 66455444

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate (CID 170364130) is methyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate is COC(=O)c1cccc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1.
What is the InChIKey of methyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate?
The InChIKey is GIUKWSULDZECBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-26-18(25)15-6-4-8-17(23-15)24-10-9-13(11-24)12-27-16-7-3-2-5-14(16)19(20,21)22/h2-8,13H,9-12H2,1H3.
What are the key properties of methyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate?
methyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate has a molecular weight of 380.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 170364130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).