2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde

C13H13F3N2O — CID 83966713

IUPAC2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde
SMILESCC(C)(C)c1cn2cc(C(F)(F)F)cc(C=O)c2n1
InChIInChI=1S/C13H13F3N2O/c1-12(2,3)10-6-18-5-9(13(14,15)16)4-8(7-19)11(18)17-10/h4-7H,1-3H3
InChIKeyNGBGVFDVWFCGIT-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.46
Rot. Bonds1

About 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde

2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde (PubChem CID 83966713) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde
PubChem CID83966713
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde
SMILESCC(C)(C)c1cn2cc(C(F)(F)F)cc(C=O)c2n1
InChIInChI=1S/C13H13F3N2O/c1-12(2,3)10-6-18-5-9(13(14,15)16)4-8(7-19)11(18)17-10/h4-7H,1-3H3
InChIKeyNGBGVFDVWFCGIT-UHFFFAOYSA-N
XLogP3.46
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde 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-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde?
The IUPAC name of 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde (CID 83966713) is 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde?
The canonical SMILES for 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde is CC(C)(C)c1cn2cc(C(F)(F)F)cc(C=O)c2n1.
What is the InChIKey of 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde?
The InChIKey is NGBGVFDVWFCGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-12(2,3)10-6-18-5-9(13(14,15)16)4-8(7-19)11(18)17-10/h4-7H,1-3H3.
What are the key properties of 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde?
2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde has a molecular weight of 270.25 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 83966713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).