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

C13H16BrF3N2O — CID 106796833

IUPAC5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Br)cnc1OCCC1CCCNC1
InChIInChI=1S/C13H16BrF3N2O/c14-10-6-11(13(15,16)17)12(19-8-10)20-5-3-9-2-1-4-18-7-9/h6,8-9,18H,1-5,7H2
InChIKeyHLNAUVZZEJQNEQ-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.63
Rot. Bonds4

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

5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine (PubChem CID 106796833) has the molecular formula C13H16BrF3N2O and a molecular weight of 353.18 g/mol. Its IUPAC name is 5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine
PubChem CID106796833
Molecular FormulaC13H16BrF3N2O
Molecular Weight353.18 g/mol
Exact Mass352.04
IUPAC Name5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Br)cnc1OCCC1CCCNC1
InChIInChI=1S/C13H16BrF3N2O/c14-10-6-11(13(15,16)17)12(19-8-10)20-5-3-9-2-1-4-18-7-9/h6,8-9,18H,1-5,7H2
InChIKeyHLNAUVZZEJQNEQ-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-chloro-2-(2-piperidin-3-ylethoxy)pyridine
CID 103583976
3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine
CID 94409728
5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796828
3-chloro-2-(2-piperidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 62358361
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796664
3,5-dibromo-2-(2-cyclobutylethoxy)pyridine
CID 106203686
3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 114796299
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine
CID 106796826
3-[2-(4-bromo-2-fluorophenoxy)ethyl]piperidine
CID 56830459
5-fluoro-2-[2-[(3R)-piperidin-3-yl]ethoxy]pyrimidine
CID 97165134
2-methyl-3-[2-[(3R)-piperidin-3-yl]ethoxy]pyrazine
CID 97163244
5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine
CID 106999595

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine (CID 106796833) is 5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Br)cnc1OCCC1CCCNC1.
What is the InChIKey of 5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine?
The InChIKey is HLNAUVZZEJQNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2O/c14-10-6-11(13(15,16)17)12(19-8-10)20-5-3-9-2-1-4-18-7-9/h6,8-9,18H,1-5,7H2.
What are the key properties of 5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine?
5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine has a molecular weight of 353.18 g/mol, XLogP of 3.63, 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-3-ylethoxy)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 106796833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).