3-methylpyridine-2-carbohydrazide

• ChemBase ID: 242259
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: C(=O)(c1ncccc1C)NN
• Canonical SMILES: NNC(=O)c1ncccc1C
• InChI: InChI=1S/C7H9N3O/c1-5-3-2-4-9-6(5)7(11)10-8/h2-4H,8H2,1H3,(H,10,11)
• InChIKey: VQBNDWYVRSUPBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylpyridine-2-carbohydrazide
• IUPAC Traditional name: 3-methylpyridine-2-carbohydrazide
• Synonyms: 3-methylpyridine-2-carbohydrazide

Database IDs

• MDL Number: MFCD16710383
• PubChem SID: 164298169
• PubChem CID: 22138234

CALCULATED PROPERTIES

• Acid pKa: 14.423666
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.20836961
• LogD (pH = 7.4): 0.2090016
• Log P: 0.2090097
• Molar Refractivity: 42.1328 cm^3
• Polarizability: 15.47426 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Hydrophobicity(logP): -0.159

Product Information

• Purity: 95%