5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine

C13H16BrF3N2O — CID 106796828

IUPAC5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Br)cnc1OCCC1CCCCN1
InChIInChI=1S/C13H16BrF3N2O/c14-9-7-11(13(15,16)17)12(19-8-9)20-6-4-10-3-1-2-5-18-10/h7-8,10,18H,1-6H2
InChIKeyGRJBJJXAJVFOCD-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.77
Rot. Bonds4

About 5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine

5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine (PubChem CID 106796828) has the molecular formula C13H16BrF3N2O and a molecular weight of 353.18 g/mol. Its IUPAC name is 5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine
PubChem CID106796828
Molecular FormulaC13H16BrF3N2O
Molecular Weight353.18 g/mol
Exact Mass352.04
IUPAC Name5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Br)cnc1OCCC1CCCCN1
InChIInChI=1S/C13H16BrF3N2O/c14-9-7-11(13(15,16)17)12(19-8-9)20-6-4-10-3-1-2-5-18-10/h7-8,10,18H,1-6H2
InChIKeyGRJBJJXAJVFOCD-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine
CID 79717731
5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796833
3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine
CID 57061640
5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 71636389
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine
CID 106796826
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 23339323
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630
3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine-4-carboxylic acid
CID 57127962
5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796659
4-(2-piperidin-2-ylethoxy)-2-(trifluoromethyl)benzonitrile
CID 62348975
(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine
CID 86320905
[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine
CID 106796845

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine (CID 106796828) is 5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Br)cnc1OCCC1CCCCN1.
What is the InChIKey of 5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine?
The InChIKey is GRJBJJXAJVFOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2O/c14-9-7-11(13(15,16)17)12(19-8-9)20-6-4-10-3-1-2-5-18-10/h7-8,10,18H,1-6H2.
What are the key properties of 5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine?
5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine has a molecular weight of 353.18 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 106796828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).