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

C10H12BrF3N2O — CID 106796823

IUPAC2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-N-ethylethanamine
SMILESCCNCCOc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H12BrF3N2O/c1-2-15-3-4-17-9-8(10(12,13)14)5-7(11)6-16-9/h5-6,15H,2-4H2,1H3
InChIKeyOJVJBOYGJNGHGB-UHFFFAOYSA-N
MW313.12 g/mol
LogP2.85
Rot. Bonds5

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

2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-N-ethylethanamine (PubChem CID 106796823) has the molecular formula C10H12BrF3N2O and a molecular weight of 313.12 g/mol. Its IUPAC name is 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-N-ethylethanamine
PubChem CID106796823
Molecular FormulaC10H12BrF3N2O
Molecular Weight313.12 g/mol
Exact Mass312.01
IUPAC Name2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-N-ethylethanamine
SMILESCCNCCOc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H12BrF3N2O/c1-2-15-3-4-17-9-8(10(12,13)14)5-7(11)6-16-9/h5-6,15H,2-4H2,1H3
InChIKeyOJVJBOYGJNGHGB-UHFFFAOYSA-N
XLogP2.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.12
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine
CID 106796826
5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine
CID 134128575
2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol
CID 134489175
5-bromo-N-(3-butoxypropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796377
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 106796775
5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796104
2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine
CID 79734651
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796828
2-[(5-bromo-3-nitro-2-pyridinyl)oxy]acetaldehyde;2-[(5-bromo-3-nitro-2-pyridinyl)oxy]-N-ethylethanamine;ethanamine
CID 167615597
5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796833
N-[[5-bromo-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291897

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-N-ethylethanamine?
The IUPAC name of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-N-ethylethanamine (CID 106796823) is 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-N-ethylethanamine.
What is the SMILES notation for 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-N-ethylethanamine?
The canonical SMILES for 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-N-ethylethanamine is CCNCCOc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-N-ethylethanamine?
The InChIKey is OJVJBOYGJNGHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N2O/c1-2-15-3-4-17-9-8(10(12,13)14)5-7(11)6-16-9/h5-6,15H,2-4H2,1H3.
What are the key properties of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-N-ethylethanamine?
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-N-ethylethanamine has a molecular weight of 313.12 g/mol, XLogP of 2.85, 5 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]-N-ethylethanamine is sourced from PubChem (CID 106796823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).