6-(azidomethyl)quinoline

• ChemBase ID: 271021
• Molecular Formular: C10H8N4
• Molecular Mass: 184.19732
• Monoisotopic Mass: 184.07489628
• SMILES: [N+](=[N-])=NCc1cc2c(nccc2)cc1
• Canonical SMILES: [N-]=[N+]=NCc1ccc2c(c1)cccn2
• InChI: InChI=1S/C10H8N4/c11-14-13-7-8-3-4-10-9(6-8)2-1-5-12-10/h1-6H,7H2
• InChIKey: HERBLQFSKZLXKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(azidomethyl)quinoline
• IUPAC Traditional name: 6-(azidomethyl)quinoline
• Synonyms: 6-(azidomethyl)quinoline

Database IDs

• MDL Number: MFCD11637150
• PubChem SID: 164326931
• PubChem CID: 22131439

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.033423
• LogD (pH = 7.4): 2.0693693
• Log P: 2.183895
• Molar Refractivity: 53.0877 cm^3
• Polarizability: 21.048233 Å^3
• Polar Surface Area: 42.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.151

Product Information

• Purity: 95%