2-(azidomethyl)pyridine

• ChemBase ID: 57496
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: [N+](=[N-])=NCc1ncccc1
• Canonical SMILES: [N-]=[N+]=NCc1ccccn1
• InChI: InChI=1S/C6H6N4/c7-10-9-5-6-3-1-2-4-8-6/h1-4H,5H2
• InChIKey: CETSXNCIBVRWEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(azidomethyl)pyridine
• IUPAC Traditional name: 2-(azidomethyl)pyridine
• Synonyms: 2-(Azidomethyl)pyridine

Database IDs

• CAS Number: 609770-35-6
• MDL Number: MFCD13188606
• PubChem SID: 162062259
• PubChem CID: 45791266

CALCULATED PROPERTIES

• Polarizability: 13.5361595 Å^3
• Polar Surface Area: 42.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 4.7188716
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.75965106
• LogD (pH = 7.4): 0.7757844
• Log P: 0.8900399
• Molar Refractivity: 36.4873 cm^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false