2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C14H11F3N2O2 — CID 79876068

IUPAC2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1NCc1ccccc1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)11-7-6-10(13(20)21)12(19-11)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyVLBKAGJZZABTOB-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.41
Rot. Bonds4

About 2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79876068) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79876068
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1NCc1ccccc1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)11-7-6-10(13(20)21)12(19-11)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyVLBKAGJZZABTOB-UHFFFAOYSA-N
XLogP3.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(benzylamino)-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-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79876068) is 2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(C(F)(F)F)nc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is VLBKAGJZZABTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)11-7-6-10(13(20)21)12(19-11)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 296.25 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79876068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).