2-(pyridin-2-yl)acetohydrazide

• ChemBase ID: 58641
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: c1cnc(cc1)CC(=O)NN
• Canonical SMILES: NNC(=O)Cc1ccccn1
• InChI: InChI=1S/C7H9N3O/c8-10-7(11)5-6-3-1-2-4-9-6/h1-4H,5,8H2,(H,10,11)
• InChIKey: NRPAJWLZXPNDOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09752002
• PubChem SID: 162063404
• PubChem CID: 10953699

CALCULATED PROPERTIES

• Acid pKa: 12.255687
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.32712618
• LogD (pH = 7.4): -0.32428825
• Log P: -0.32424632
• Molar Refractivity: 41.143 cm^3
• Polarizability: 15.752206 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111 - 113°C
• Hydrophobicity(logP): -1.353

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%