pyridine-3-carbonyl azide

• ChemBase ID: 266021
• Molecular Formular: C6H4N4O
• Molecular Mass: 148.12216
• Monoisotopic Mass: 148.03851077
• SMILES: [N+](=NC(=O)c1cnccc1)=[N-]
• Canonical SMILES: [N-]=[N+]=NC(=O)c1cccnc1
• InChI: InChI=1S/C6H4N4O/c7-10-9-6(11)5-2-1-3-8-4-5/h1-4H
• InChIKey: ZNSIOEUWGZNHAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-3-carbonyl azide
• IUPAC Traditional name: pyridine-3-carbonyl azide
• Synonyms: pyridine-3-carbonyl azide

Database IDs

• MDL Number: MFCD01711691
• PubChem SID: 164321931
• PubChem CID: 19914

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.13488407
• LogD (pH = 7.4): 0.13702525
• Log P: 0.2510983
• Molar Refractivity: 37.5366 cm^3
• Polarizability: 13.643227 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48 - 50°C
• Hydrophobicity(logP): 0.753

Product Information

• Purity: 95%