2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine

C13H9BrF3NO2 — CID 104707642

IUPAC2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine
SMILESCOc1ccc(Oc2ncccc2C(F)(F)F)c(Br)c1
InChIInChI=1S/C13H9BrF3NO2/c1-19-8-4-5-11(10(14)7-8)20-12-9(13(15,16)17)3-2-6-18-12/h2-7H,1H3
InChIKeyXEEYFUBTMJUCIO-UHFFFAOYSA-N
MW348.12 g/mol
LogP4.66
Rot. Bonds3

About 2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine

2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine (PubChem CID 104707642) has the molecular formula C13H9BrF3NO2 and a molecular weight of 348.12 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine
PubChem CID104707642
Molecular FormulaC13H9BrF3NO2
Molecular Weight348.12 g/mol
Exact Mass346.98
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine
SMILESCOc1ccc(Oc2ncccc2C(F)(F)F)c(Br)c1
InChIInChI=1S/C13H9BrF3NO2/c1-19-8-4-5-11(10(14)7-8)20-12-9(13(15,16)17)3-2-6-18-12/h2-7H,1H3
InChIKeyXEEYFUBTMJUCIO-UHFFFAOYSA-N
XLogP4.66
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.12
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methoxyphenoxy)-3-fluoropyridine
CID 104707654
[3-methoxy-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
CID 103568205
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 60869902
4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine
CID 106748562
3-amino-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
CID 61388483
4-chloro-2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 62304327
3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
CID 61396205
2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine
CID 104707648
[3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 104706871
O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine
CID 75176185
2-(2-bromo-4-methoxyphenoxy)-3-chloropyridine-4-carboxylic acid
CID 107063613
2-(2-bromo-4-methoxyphenoxy)-1-ethylimidazole
CID 104707547

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine (CID 104707642) is 2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine is COc1ccc(Oc2ncccc2C(F)(F)F)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine?
The InChIKey is XEEYFUBTMJUCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO2/c1-19-8-4-5-11(10(14)7-8)20-12-9(13(15,16)17)3-2-6-18-12/h2-7H,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine?
2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine has a molecular weight of 348.12 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 104707642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).