4-hydrazinylpyridine

• ChemBase ID: 114717
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: n1ccc(NN)cc1
• Canonical SMILES: NNc1ccncc1
• InChI: InChI=1S/C5H7N3/c6-8-5-1-3-7-4-2-5/h1-4H,6H2,(H,7,8)
• InChIKey: KRTLKPFLTASKCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinylpyridine
• IUPAC Traditional name: 4-hydrazinylpyridine
• Synonyms: Pyridin-4-yl-hydrazine hydrobromide; 4-hydrazinopyridine; 4-hydrazinylpyridine

Database IDs

• CAS Number: 27256-91-3
• MDL Number: MFCD00731049
• PubChem SID: 162106966
• PubChem CID: 416631

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8640233
• LogD (pH = 7.4): 0.045043156
• Log P: 0.14721599
• Molar Refractivity: 33.6078 cm^3
• Polarizability: 11.985546 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.559
• Hydrophobicity(logP): 0.74

Product Information

• Purity: 95%; 95+%
• Salt Data: HBr