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

C14H10F3NO3 — CID 71150981

IUPAC5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)10-2-1-3-11(6-10)21-8-9-4-5-12(13(19)20)18-7-9/h1-7H,8H2,(H,19,20)
InChIKeyZFVGXBFVXOFNMS-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.38
Rot. Bonds4

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

5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid (PubChem CID 71150981) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
PubChem CID71150981
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)10-2-1-3-11(6-10)21-8-9-4-5-12(13(19)20)18-7-9/h1-7H,8H2,(H,19,20)
InChIKeyZFVGXBFVXOFNMS-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-5-carboxylic acid
CID 117187952
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 63851691
3-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 117219656
5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid
CID 122053273
1-methyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-5-carboxylic acid
CID 117215965
2-hydroxy-5-methyl-3-[[3-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 11723882
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid
CID 118428749
6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid
CID 15790812
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid (CID 71150981) is 5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(COc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
The InChIKey is ZFVGXBFVXOFNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)10-2-1-3-11(6-10)21-8-9-4-5-12(13(19)20)18-7-9/h1-7H,8H2,(H,19,20).
What are the key properties of 5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid?
5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid has a molecular weight of 297.23 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 71150981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).