(2E)-2-hydrazinylidene-5-methyl-1,2-dihydropyridine

• ChemBase ID: 170035
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: [nH]1/c(=N/N)/ccc(c1)C
• Canonical SMILES: N/N=c/1\ccc(c[nH]1)C
• InChI: InChI=1S/C6H9N3/c1-5-2-3-6(9-7)8-4-5/h2-4H,7H2,1H3,(H,8,9)
• InChIKey: PNVWNMCAGZBUNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-2-hydrazinylidene-5-methyl-1,2-dihydropyridine
• IUPAC Traditional name: (2E)-2-hydrazinylidene-5-methyl-1H-pyridine
• Synonyms: 5-Methyl-2-pyridylhydrazine; 2-Hydrazino-5-methylpyridine, 90%

Database IDs

• CAS Number: 4931-01-5
• PubChem SID: 164225945
• PubChem CID: 4153396

CALCULATED PROPERTIES

• Acid pKa: 13.0702095
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1447995
• LogD (pH = 7.4): -0.7601881
• Log P: 0.08750899
• Molar Refractivity: 38.8685 cm^3
• Polarizability: 13.859084 Å^3
• Polar Surface Area: 50.41 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Orange to Dark Red Solid
• Melting Point: 63-65°C

Safety Information

• Storage Condition: -86°C Freezer, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - H714500

Used as a herbicide.