2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid

C11H11F3N2O2 — CID 165489324

IUPAC2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(NC2CCC2)ncc1C(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)8-5-15-9(4-7(8)10(17)18)16-6-2-1-3-6/h4-6H,1-3H2,(H,15,16)(H,17,18)
InChIKeyFZAPKZLVLDNXDP-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.76
Rot. Bonds3

About 2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid

2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 165489324) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID165489324
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(NC2CCC2)ncc1C(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)8-5-15-9(4-7(8)10(17)18)16-6-2-1-3-6/h4-6H,1-3H2,(H,15,16)(H,17,18)
InChIKeyFZAPKZLVLDNXDP-UHFFFAOYSA-N
XLogP2.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-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-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid (CID 165489324) is 2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid is O=C(O)c1cc(NC2CCC2)ncc1C(F)(F)F.
What is the InChIKey of 2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is FZAPKZLVLDNXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)8-5-15-9(4-7(8)10(17)18)16-6-2-1-3-6/h4-6H,1-3H2,(H,15,16)(H,17,18).
What are the key properties of 2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid?
2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 260.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-5-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 165489324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).