2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid

C13H9F3N2O2 — CID 4488

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IUPAC2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKeyJZFPYUNJRRFVQU-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.54
Rot. Bonds3

About 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid

2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid (PubChem CID 4488) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
PubChem CID4488
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKeyJZFPYUNJRRFVQU-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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Related Compounds

Clonixin
CID 28718
Diflufenzopyr
CID 6125184
Flunixin
CID 38081
Morniflumate
CID 72106
Flunixin Meglumine
CID 39212
2-Aminonicotinic acid
CID 72930
Metanixin
CID 10466908
6-Aminonicotinic acid
CID 18496
Nixylic acid
CID 71827
2-(4-Chloro-phenylamino)-nicotinic acid
CID 1432578
Anthranilic acid, N-(2-anilino-4-pyrimidinyl)-
CID 55970
6-(Dimethylamino)-3-pyridinecarboxylic acid
CID 99209

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid (CID 4488) is 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The InChIKey is JZFPYUNJRRFVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
2-[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 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 4488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).