2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine

C8H8BrF3N2O — CID 106796826

IUPAC2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine
SMILESNCCOc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H8BrF3N2O/c9-5-3-6(8(10,11)12)7(14-4-5)15-2-1-13/h3-4H,1-2,13H2
InChIKeyJIZWLEULXQFGSS-UHFFFAOYSA-N
MW285.06 g/mol
LogP2.20
Rot. Bonds3

About 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine

2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine (PubChem CID 106796826) has the molecular formula C8H8BrF3N2O and a molecular weight of 285.06 g/mol. Its IUPAC name is 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine
PubChem CID106796826
Molecular FormulaC8H8BrF3N2O
Molecular Weight285.06 g/mol
Exact Mass283.98
IUPAC Name2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine
SMILESNCCOc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H8BrF3N2O/c9-5-3-6(8(10,11)12)7(14-4-5)15-2-1-13/h3-4H,1-2,13H2
InChIKeyJIZWLEULXQFGSS-UHFFFAOYSA-N
XLogP2.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol
CID 134489175
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-N-ethylethanamine
CID 106796823
5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine
CID 134128575
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 106796775
2-[4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine
CID 106796783
[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine
CID 106796845
5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796828
5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796833
4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline
CID 106796453
3-bromo-5-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 106796476
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
CID 71756841
3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol
CID 106796928

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine?
The IUPAC name of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine (CID 106796826) is 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine.
What is the SMILES notation for 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine?
The canonical SMILES for 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine is NCCOc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine?
The InChIKey is JIZWLEULXQFGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2O/c9-5-3-6(8(10,11)12)7(14-4-5)15-2-1-13/h3-4H,1-2,13H2.
What are the key properties of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine?
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine has a molecular weight of 285.06 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 106796826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).