2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C15H13F3N2O3 — CID 71523886

IUPAC2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(N(C)c2nc(C(F)(F)F)ccc2C(=O)O)cc1
InChIInChI=1S/C15H13F3N2O3/c1-20(9-3-5-10(23-2)6-4-9)13-11(14(21)22)7-8-12(19-13)15(16,17)18/h3-8H,1-2H3,(H,21,22)
InChIKeyHRFYLQOULCMLJJ-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.58
Rot. Bonds4

About 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 71523886) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID71523886
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC Name2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(N(C)c2nc(C(F)(F)F)ccc2C(=O)O)cc1
InChIInChI=1S/C15H13F3N2O3/c1-20(9-3-5-10(23-2)6-4-9)13-11(14(21)22)7-8-12(19-13)15(16,17)18/h3-8H,1-2H3,(H,21,22)
InChIKeyHRFYLQOULCMLJJ-UHFFFAOYSA-N
XLogP3.58
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)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 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 71523886) is 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is COc1ccc(N(C)c2nc(C(F)(F)F)ccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is HRFYLQOULCMLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c1-20(9-3-5-10(23-2)6-4-9)13-11(14(21)22)7-8-12(19-13)15(16,17)18/h3-8H,1-2H3,(H,21,22).
What are the key properties of 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 326.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 71523886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).