2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine

C12H15F3N2O — CID 133493218

IUPAC2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
SMILESCCC1CCN(c2ccc(OC(F)(F)F)cn2)C1
InChIInChI=1S/C12H15F3N2O/c1-2-9-5-6-17(8-9)11-4-3-10(7-16-11)18-12(13,14)15/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyXANASNZTXRAPEL-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.22
Rot. Bonds3

About 2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine

2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine (PubChem CID 133493218) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
PubChem CID133493218
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
SMILESCCC1CCN(c2ccc(OC(F)(F)F)cn2)C1
InChIInChI=1S/C12H15F3N2O/c1-2-9-5-6-17(8-9)11-4-3-10(7-16-11)18-12(13,14)15/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyXANASNZTXRAPEL-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol
CID 133488109
1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
CID 133487864
2-(3-ethylazetidin-1-yl)-5-methoxypyridine
CID 154695178
2-[(3R)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethoxy)pyridine
CID 99837649
(3aS,6aS)-5-[5-(trifluoromethoxy)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 169122874
1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
CID 133488140
2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol
CID 133488124
4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine
CID 163491311
[6-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 61256877
1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
CID 167756362
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 171705085

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine (CID 133493218) is 2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine is CCC1CCN(c2ccc(OC(F)(F)F)cn2)C1.
What is the InChIKey of 2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine?
The InChIKey is XANASNZTXRAPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-2-9-5-6-17(8-9)11-4-3-10(7-16-11)18-12(13,14)15/h3-4,7,9H,2,5-6,8H2,1H3.
What are the key properties of 2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine?
2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine has a molecular weight of 260.26 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 133493218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).