5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid

C13H7F4NO3 — CID 102747023

IUPAC5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(F)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H7F4NO3/c14-10-3-1-7(5-9(10)13(15,16)17)21-8-2-4-11(12(19)20)18-6-8/h1-6H,(H,19,20)
InChIKeyXEVDWVJWOWFRQE-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.73
Rot. Bonds3

About 5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid

5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid (PubChem CID 102747023) has the molecular formula C13H7F4NO3 and a molecular weight of 301.20 g/mol. Its IUPAC name is 5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
PubChem CID102747023
Molecular FormulaC13H7F4NO3
Molecular Weight301.20 g/mol
Exact Mass301.04
IUPAC Name5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(F)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H7F4NO3/c14-10-3-1-7(5-9(10)13(15,16)17)21-8-2-4-11(12(19)20)18-6-8/h1-6H,(H,19,20)
InChIKeyXEVDWVJWOWFRQE-UHFFFAOYSA-N
XLogP3.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid (CID 102747023) is 5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid is O=C(O)c1ccc(Oc2ccc(F)c(C(F)(F)F)c2)cn1.
What is the InChIKey of 5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
The InChIKey is XEVDWVJWOWFRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO3/c14-10-3-1-7(5-9(10)13(15,16)17)21-8-2-4-11(12(19)20)18-6-8/h1-6H,(H,19,20).
What are the key properties of 5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid has a molecular weight of 301.20 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 102747023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).