2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoic acid

C13H9F3N2O2 — CID 1484876

IUPAC2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)11-7-8(5-6-17-11)18-10-4-2-1-3-9(10)12(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyHBIPTBWKXDEDEJ-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.54
Rot. Bonds3

About 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoic acid

2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoic acid (PubChem CID 1484876) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoic acid
PubChem CID1484876
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)11-7-8(5-6-17-11)18-10-4-2-1-3-9(10)12(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyHBIPTBWKXDEDEJ-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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoic acid (CID 1484876) is 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoic acid is O=C(O)c1ccccc1Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoic acid?
The InChIKey is HBIPTBWKXDEDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)11-7-8(5-6-17-11)18-10-4-2-1-3-9(10)12(19)20/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoic acid?
2-[[2-(trifluoromethyl)-4-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-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoic acid is sourced from PubChem (CID 1484876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).