N-[5-(hydrazinecarbonyl)pyridin-3-yl]acetamide

• ChemBase ID: 240427
• Molecular Formular: C8H10N4O2
• Molecular Mass: 194.1906
• Monoisotopic Mass: 194.08037558
• SMILES: c1(C(=O)NN)cc(NC(=O)C)cnc1
• Canonical SMILES: NNC(=O)c1cncc(c1)NC(=O)C
• InChI: InChI=1S/C8H10N4O2/c1-5(13)11-7-2-6(3-10-4-7)8(14)12-9/h2-4H,9H2,1H3,(H,11,13)(H,12,14)
• InChIKey: YUPHNPNAJKHUTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-(hydrazinecarbonyl)pyridin-3-yl]acetamide
• IUPAC Traditional name: N-[5-(hydrazinecarbonyl)pyridin-3-yl]acetamide
• Synonyms: N-[5-(hydrazinecarbonyl)pyridin-3-yl]acetamide

Database IDs

• MDL Number: MFCD22421773
• PubChem SID: 164296337
• PubChem CID: 71756548

CALCULATED PROPERTIES

• Acid pKa: 12.486822
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.453302
• LogD (pH = 7.4): -1.4525644
• Log P: -1.4525516
• Molar Refractivity: 52.3266 cm^3
• Polarizability: 18.641556 Å^3
• Polar Surface Area: 97.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): -0.785

Product Information

• Purity: 95%