2-tert-butylimidazo[1,2-a]pyridine

• ChemBase ID: 75707
• Molecular Formular: C11H14N2
• Molecular Mass: 174.24226
• Monoisotopic Mass: 174.11569846
• SMILES: n1c2n(cccc2)cc1C(C)(C)C
• Canonical SMILES: CC(c1nc2n(c1)cccc2)(C)C
• InChI: InChI=1S/C11H14N2/c1-11(2,3)9-8-13-7-5-4-6-10(13)12-9/h4-8H,1-3H3
• InChIKey: PGLHGXMDGUTQON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 2-tert-butylimidazo[1,2-a]pyridine
• Synonyms: 2-tert-Butylimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 406207-65-6
• MDL Number: MFCD00269176
• PubChem SID: 162040625
• PubChem CID: 7141921

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9078474
• LogD (pH = 7.4): 2.6591153
• Log P: 2.690456
• Molar Refractivity: 54.2303 cm^3
• Polarizability: 20.588152 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic