5-azidoquinoline

• ChemBase ID: 269220
• Molecular Formular: C9H6N4
• Molecular Mass: 170.17074
• Monoisotopic Mass: 170.05924621
• SMILES: [N+](=[N-])=Nc1c2c(nccc2)ccc1
• Canonical SMILES: [N-]=[N+]=Nc1cccc2c1cccn2
• InChI: InChI=1S/C9H6N4/c10-13-12-9-5-1-4-8-7(9)3-2-6-11-8/h1-6H
• InChIKey: SLDBUWKWILPLJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-azidoquinoline
• IUPAC Traditional name: 5-azidoquinoline
• Synonyms: 5-azidoquinoline

Database IDs

• MDL Number: MFCD11207321
• PubChem SID: 164325130
• PubChem CID: 146529

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4326367
• LogD (pH = 7.4): 2.4371662
• Log P: 2.55127
• Molar Refractivity: 50.2669 cm^3
• Polarizability: 19.185343 Å^3
• Polar Surface Area: 42.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61 - 63°C
• Hydrophobicity(logP): 3.012

Product Information

• Purity: 95%