2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid

C15H11F4NO4 — CID 23036982

IUPAC2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid
SMILESCC(Oc1ccc(-c2ncc(C(F)(F)F)cc2F)cc1O)C(=O)O
InChIInChI=1S/C15H11F4NO4/c1-7(14(22)23)24-12-3-2-8(4-11(12)21)13-10(16)5-9(6-20-13)15(17,18)19/h2-7,21H,1H3,(H,22,23)
InChIKeyPQXVIBICTJVTRS-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.46
Rot. Bonds4

About 2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid

2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid (PubChem CID 23036982) has the molecular formula C15H11F4NO4 and a molecular weight of 345.25 g/mol. Its IUPAC name is 2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid
PubChem CID23036982
Molecular FormulaC15H11F4NO4
Molecular Weight345.25 g/mol
Exact Mass345.06
IUPAC Name2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid
SMILESCC(Oc1ccc(-c2ncc(C(F)(F)F)cc2F)cc1O)C(=O)O
InChIInChI=1S/C15H11F4NO4/c1-7(14(22)23)24-12-3-2-8(4-11(12)21)13-10(16)5-9(6-20-13)15(17,18)19/h2-7,21H,1H3,(H,22,23)
InChIKeyPQXVIBICTJVTRS-UHFFFAOYSA-N
XLogP3.46
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid?
The IUPAC name of 2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid (CID 23036982) is 2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid.
What is the SMILES notation for 2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid?
The canonical SMILES for 2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid is CC(Oc1ccc(-c2ncc(C(F)(F)F)cc2F)cc1O)C(=O)O.
What is the InChIKey of 2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid?
The InChIKey is PQXVIBICTJVTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO4/c1-7(14(22)23)24-12-3-2-8(4-11(12)21)13-10(16)5-9(6-20-13)15(17,18)19/h2-7,21H,1H3,(H,22,23).
What are the key properties of 2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid?
2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid has a molecular weight of 345.25 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyphenoxy]propanoic acid is sourced from PubChem (CID 23036982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).