2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid

C14H10F3NO3 — CID 19082076

IUPAC2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)10-3-6-12(18-8-10)21-11-4-1-9(2-5-11)7-13(19)20/h1-6,8H,7H2,(H,19,20)
InChIKeyGUFQTQFODVFWPT-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.52
Rot. Bonds4

About 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid

2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid (PubChem CID 19082076) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid
PubChem CID19082076
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)10-3-6-12(18-8-10)21-11-4-1-9(2-5-11)7-13(19)20/h1-6,8H,7H2,(H,19,20)
InChIKeyGUFQTQFODVFWPT-UHFFFAOYSA-N
XLogP3.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid (CID 19082076) is 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid is O=C(O)Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid?
The InChIKey is GUFQTQFODVFWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)10-3-6-12(18-8-10)21-11-4-1-9(2-5-11)7-13(19)20/h1-6,8H,7H2,(H,19,20).
What are the key properties of 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid?
2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid has a molecular weight of 297.23 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetic acid is sourced from PubChem (CID 19082076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).