2-hydrazinyl-3-methylpyridine

• ChemBase ID: 57203
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: c1cnc(c(c1)C)NN
• Canonical SMILES: NNc1ncccc1C
• InChI: InChI=1S/C6H9N3/c1-5-3-2-4-8-6(5)9-7/h2-4H,7H2,1H3,(H,8,9)
• InChIKey: IRZALWDJCUHVNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-3-methylpyridine
• IUPAC Traditional name: 2-hydrazinyl-3-methylpyridine
• Synonyms: 2-Hydrazino-3-methylpyridine

Database IDs

• CAS Number: 4930-99-8
• MDL Number: MFCD07786312
• PubChem SID: 162061966
• PubChem CID: 250843

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.23032288
• LogD (pH = 7.4): 0.069952026
• Log P: 1.2550949
• Molar Refractivity: 38.9625 cm^3
• Polarizability: 13.755761 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false