4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid

C13H9F3N2O2 — CID 25969

IUPAC4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)8-2-1-3-9(6-8)18-11-4-5-17-7-10(11)12(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyNLBIKXOJCISNQP-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.54
Rot. Bonds3

About 4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid

4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid (PubChem CID 25969) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
PubChem CID25969
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)8-2-1-3-9(6-8)18-11-4-5-17-7-10(11)12(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyNLBIKXOJCISNQP-UHFFFAOYSA-N
XLogP3.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-(trifluoromethyl)anilino]pyridine-3-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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid (CID 25969) is 4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid is O=C(O)c1cnccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The InChIKey is NLBIKXOJCISNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)8-2-1-3-9(6-8)18-11-4-5-17-7-10(11)12(19)20/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid has a molecular weight of 282.22 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 25969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).