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

C13H7F4NO3 — CID 102747015

IUPAC4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc(F)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C13H7F4NO3/c14-10-2-1-7(5-9(10)13(15,16)17)21-8-3-4-18-11(6-8)12(19)20/h1-6H,(H,19,20)
InChIKeySVRLLMVZYHGFTE-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.73
Rot. Bonds3

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

4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid (PubChem CID 102747015) has the molecular formula C13H7F4NO3 and a molecular weight of 301.20 g/mol. Its IUPAC name is 4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
PubChem CID102747015
Molecular FormulaC13H7F4NO3
Molecular Weight301.20 g/mol
Exact Mass301.04
IUPAC Name4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc(F)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C13H7F4NO3/c14-10-2-1-7(5-9(10)13(15,16)17)21-8-3-4-18-11(6-8)12(19)20/h1-6H,(H,19,20)
InChIKeySVRLLMVZYHGFTE-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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Related Compounds

5-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 102747023
2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidine-4-carboxylic acid
CID 107555049
4-(4-hydroxyphenoxy)pyridine-2-carboxylic acid
CID 69017649
4-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
CID 43325985
4-(4-cyanophenoxy)pyridine-2-carboxylic acid
CID 43142929
4-(2,5-dichlorophenoxy)pyridine-2-carboxylic acid
CID 43325991
4-(2,3-dihydro-1H-inden-5-yloxy)pyridine-2-carboxylic acid
CID 43326034
N-acetyl-N-[2,4-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]acetamide
CID 139917696
4-[4-[[[4-acetamido-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293320
4-fluoro-N'-(4-pyridin-4-yloxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 11441514
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2-methylsulfanylpyrimidine
CID 67661500
[4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroacetate
CID 118593314

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
The IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid (CID 102747015) is 4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid is O=C(O)c1cc(Oc2ccc(F)c(C(F)(F)F)c2)ccn1.
What is the InChIKey of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
The InChIKey is SVRLLMVZYHGFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO3/c14-10-2-1-7(5-9(10)13(15,16)17)21-8-3-4-18-11(6-8)12(19)20/h1-6H,(H,19,20).
What are the key properties of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
4-[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 4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 102747015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).