5-methylfuran-2-carbonyl azide

• ChemBase ID: 270301
• Molecular Formular: C6H5N3O2
• Molecular Mass: 151.1228
• Monoisotopic Mass: 151.03817642
• SMILES: c1(C(=O)N=[N+]=[N-])oc(cc1)C
• Canonical SMILES: [N-]=[N+]=NC(=O)c1ccc(o1)C
• InChI: InChI=1S/C6H5N3O2/c1-4-2-3-5(11-4)6(10)8-9-7/h2-3H,1H3
• InChIKey: SPFITDQYUZWFMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylfuran-2-carbonyl azide
• IUPAC Traditional name: 5-methylfuran-2-carbonyl azide
• Synonyms: 5-methylfuran-2-carbonyl azide

Database IDs

• MDL Number: MFCD11637190
• PubChem SID: 164326211
• PubChem CID: 5016030

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.614533
• LogD (pH = 7.4): 0.614533
• Log P: 0.7285787
• Molar Refractivity: 37.2341 cm^3
• Polarizability: 13.246676 Å^3
• Polar Surface Area: 59.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 33 - 35°C
• Hydrophobicity(logP): 1.925

Product Information

• Purity: 95%