2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine

C16H16F3N3O — CID 171705085

IUPAC2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(N2CCC(COc3ccncc3)C2)nc1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)13-1-2-15(21-9-13)22-8-5-12(10-22)11-23-14-3-6-20-7-4-14/h1-4,6-7,9,12H,5,8,10-11H2
InChIKeyQUWPDTMPEQEHSA-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.40
Rot. Bonds4

About 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine

2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 171705085) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID171705085
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(N2CCC(COc3ccncc3)C2)nc1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)13-1-2-15(21-9-13)22-8-5-12(10-22)11-23-14-3-6-20-7-4-14/h1-4,6-7,9,12H,5,8,10-11H2
InChIKeyQUWPDTMPEQEHSA-UHFFFAOYSA-N
XLogP3.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62592662
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine
CID 63761657
5-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-thiazole
CID 171705009
N,N-dimethyl-6-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 171705020
5-methoxy-2-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxypyrimidine
CID 163345898
4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline
CID 171998224
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
CID 126946416
ethane;4-methoxy-N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridin-3-amine
CID 176922818
1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride
CID 91623900

Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine (CID 171705085) is 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(N2CCC(COc3ccncc3)C2)nc1.
What is the InChIKey of 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is QUWPDTMPEQEHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c17-16(18,19)13-1-2-15(21-9-13)22-8-5-12(10-22)11-23-14-3-6-20-7-4-14/h1-4,6-7,9,12H,5,8,10-11H2.
What are the key properties of 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine?
2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 323.32 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 171705085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).