2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid

C8H6F3NO3 — CID 114335163

IUPAC2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
SMILESO=C(O)COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)5-2-1-3-6(12-5)15-4-7(13)14/h1-3H,4H2,(H,13,14)
InChIKeyIBVPIGSNPIHXAU-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.56
Rot. Bonds3

About 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid

2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid (PubChem CID 114335163) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
PubChem CID114335163
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
SMILESO=C(O)COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H6F3NO3/c9-8(10,11)5-2-1-3-6(12-5)15-4-7(13)14/h1-3H,4H2,(H,13,14)
InChIKeyIBVPIGSNPIHXAU-UHFFFAOYSA-N
XLogP1.56
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid?
The IUPAC name of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid (CID 114335163) is 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid.
What is the SMILES notation for 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid?
The canonical SMILES for 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid is O=C(O)COc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid?
The InChIKey is IBVPIGSNPIHXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c9-8(10,11)5-2-1-3-6(12-5)15-4-7(13)14/h1-3H,4H2,(H,13,14).
What are the key properties of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid?
2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid has a molecular weight of 221.13 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid is sourced from PubChem (CID 114335163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).