3-bromo-5-hydrazinylpyridine

• ChemBase ID: 243829
• Molecular Formular: C5H6BrN3
• Molecular Mass: 188.02524
• Monoisotopic Mass: 186.97450921
• SMILES: n1cc(cc(Br)c1)NN
• Canonical SMILES: NNc1cc(Br)cnc1
• InChI: InChI=1S/C5H6BrN3/c6-4-1-5(9-7)3-8-2-4/h1-3,9H,7H2
• InChIKey: KDJLIHKVCQSWDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-hydrazinylpyridine
• IUPAC Traditional name: 3-bromo-5-hydrazinylpyridine
• Synonyms: 3-bromo-5-hydrazinylpyridine

Database IDs

• MDL Number: MFCD11848414
• PubChem SID: 164299739
• PubChem CID: 21820509

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8131319
• LogD (pH = 7.4): 0.91451025
• Log P: 0.9159686
• Molar Refractivity: 41.2306 cm^3
• Polarizability: 14.891992 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.734

Product Information

• Purity: 95%