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

C8H5BrF3NO3 — CID 106796775

IUPAC2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
SMILESO=C(O)COc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H5BrF3NO3/c9-4-1-5(8(10,11)12)7(13-2-4)16-3-6(14)15/h1-2H,3H2,(H,14,15)
InChIKeyQOAJYDJIDZYFBB-UHFFFAOYSA-N
MW300.03 g/mol
LogP2.33
Rot. Bonds3

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

2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid (PubChem CID 106796775) has the molecular formula C8H5BrF3NO3 and a molecular weight of 300.03 g/mol. Its IUPAC name is 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
PubChem CID106796775
Molecular FormulaC8H5BrF3NO3
Molecular Weight300.03 g/mol
Exact Mass298.94
IUPAC Name2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
SMILESO=C(O)COc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H5BrF3NO3/c9-4-1-5(8(10,11)12)7(13-2-4)16-3-6(14)15/h1-2H,3H2,(H,14,15)
InChIKeyQOAJYDJIDZYFBB-UHFFFAOYSA-N
XLogP2.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.03
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 106796769
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
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 56832322
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 106795831
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-N-ethylethanamine
CID 106796823
2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butanoic acid
CID 106797344
2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid
CID 154733834
2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid
CID 90900248
[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine
CID 106796845
4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline
CID 106796453

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid?
The IUPAC name of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid (CID 106796775) is 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid.
What is the SMILES notation for 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid?
The canonical SMILES for 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid is O=C(O)COc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid?
The InChIKey is QOAJYDJIDZYFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO3/c9-4-1-5(8(10,11)12)7(13-2-4)16-3-6(14)15/h1-2H,3H2,(H,14,15).
What are the key properties of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid?
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid has a molecular weight of 300.03 g/mol, XLogP of 2.33, 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]acetic acid is sourced from PubChem (CID 106796775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).