2-(pyridin-4-yl)acetohydrazide

• ChemBase ID: 285954
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: C(=O)(NN)Cc1ccncc1
• Canonical SMILES: NNC(=O)Cc1ccncc1
• InChI: InChI=1S/C7H9N3O/c8-10-7(11)5-6-1-3-9-4-2-6/h1-4H,5,8H2,(H,10,11)
• InChIKey: BUCTVILECOJXIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-4-yl)acetohydrazide
• IUPAC Traditional name: 2-(pyridin-4-yl)acetohydrazide
• Synonyms: 2-(pyridin-4-yl)acetohydrazide; 2-pyridin-4-ylacetohydrazide

Database IDs

• CAS Number: 69583-00-2
• MDL Number: MFCD00854145
• PubChem SID: 180671485
• PubChem CID: 460558

CALCULATED PROPERTIES

• Acid pKa: 12.260811
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.82518303
• LogD (pH = 7.4): -0.7118086
• Log P: -0.71009666
• Molar Refractivity: 41.515 cm^3
• Polarizability: 15.751324 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91 - 93°C
• Hydrophobicity(logP): -1.353

Product Information

• Purity: 95%; 95+%