2-(azidomethyl)imidazo[1,2-a]pyridine

• ChemBase ID: 242808
• Molecular Formular: C8H7N5
• Molecular Mass: 173.17468
• Monoisotopic Mass: 173.07014525
• SMILES: n1c2n(cc1CN=[N+]=[N-])cccc2
• Canonical SMILES: [N-]=[N+]=NCc1nc2n(c1)cccc2
• InChI: InChI=1S/C8H7N5/c9-12-10-5-7-6-13-4-2-1-3-8(13)11-7/h1-4,6H,5H2
• InChIKey: RKCBWMGEMVBYBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(azidomethyl)imidazo[1,2-a]pyridine
• IUPAC Traditional name: 2-(azidomethyl)imidazo[1,2-a]pyridine
• Synonyms: 2-(azidomethyl)imidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD13177106
• PubChem SID: 164298718
• PubChem CID: 61375716

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.77997035
• LogD (pH = 7.4): 0.77997035
• Log P: 0.89401597
• Molar Refractivity: 48.5226 cm^3
• Polarizability: 17.39713 Å^3
• Polar Surface Area: 46.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.528

Product Information

• Purity: 95%