4-azidopyridine-2-carboxamide

• ChemBase ID: 268981
• Molecular Formular: C6H5N5O
• Molecular Mass: 163.1368
• Monoisotopic Mass: 163.04940981
• SMILES: [N+](=[N-])=Nc1cc(C(=O)N)ncc1
• Canonical SMILES: [N-]=[N+]=Nc1ccnc(c1)C(=O)N
• InChI: InChI=1S/C6H5N5O/c7-6(12)5-3-4(10-11-8)1-2-9-5/h1-3H,(H2,7,12)
• InChIKey: IHEZQDPKDKGOIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-azidopyridine-2-carboxamide
• IUPAC Traditional name: 4-azidopyridine-2-carboxamide
• Synonyms: 4-azidopyridine-2-carboxamide

Database IDs

• MDL Number: MFCD16817463
• PubChem SID: 164324891
• PubChem CID: 50989589

CALCULATED PROPERTIES

• Acid pKa: 13.590127
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.2983839
• LogD (pH = 7.4): 0.29838812
• Log P: 0.4124336
• Molar Refractivity: 42.8951 cm^3
• Polarizability: 14.6140585 Å^3
• Polar Surface Area: 85.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 1.329

Product Information

• Purity: 95%