2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid

C13H9F3N2O2 — CID 171343423

IUPAC2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1cncc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)8-5-9(7-17-6-8)18-11-4-2-1-3-10(11)12(19)20/h1-7,18H,(H,19,20)
InChIKeyITVIZZLLYSHIRR-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.54
Rot. Bonds3

About 2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid

2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid (PubChem CID 171343423) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid
PubChem CID171343423
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1cncc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)8-5-9(7-17-6-8)18-11-4-2-1-3-10(11)12(19)20/h1-7,18H,(H,19,20)
InChIKeyITVIZZLLYSHIRR-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 2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic 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-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
5-(2-fluoroanilino)pyridine-3-carboxylic acid
CID 82535090
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
2-[3-(2-cyclopentylethynyl)-5-(trifluoromethyl)anilino]benzoic acid
CID 171358053
5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid
CID 175717024
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
2-(4-hydroxyanilino)benzoic acid
CID 11593806
2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid
CID 10385313
4-[3,5-bis(trifluoromethyl)anilino]thiophene-3-carboxylic acid
CID 23456886
2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
CID 10547402
2-(3-chloro-2-methylanilino)benzoic acid;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 66813719

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid?
The IUPAC name of 2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid (CID 171343423) is 2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid?
The canonical SMILES for 2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid is O=C(O)c1ccccc1Nc1cncc(C(F)(F)F)c1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid?
The InChIKey is ITVIZZLLYSHIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)8-5-9(7-17-6-8)18-11-4-2-1-3-10(11)12(19)20/h1-7,18H,(H,19,20).
What are the key properties of 2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid?
2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic 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 2-[[5-(trifluoromethyl)-3-pyridinyl]amino]benzoic acid is sourced from PubChem (CID 171343423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).