6-aminopyridine-3-carbohydrazide

• ChemBase ID: 39843
• Molecular Formular: C6H8N4O
• Molecular Mass: 152.15392
• Monoisotopic Mass: 152.0698109
• SMILES: c1(C(=O)NN)cnc(cc1)N
• Canonical SMILES: NNC(=O)c1ccc(nc1)N
• InChI: InChI=1S/C6H8N4O/c7-5-2-1-4(3-9-5)6(11)10-8/h1-3H,8H2,(H2,7,9)(H,10,11)
• InChIKey: MUTYGKWOSMNYBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminopyridine-3-carbohydrazide
• IUPAC Traditional name: 6-aminopyridine-3-carbohydrazide
• Synonyms: 6-Aminonicotinohydrazide

Database IDs

• CAS Number: 42596-56-5
• MDL Number: MFCD03844845
• PubChem SID: 161003150
• PubChem CID: 2763340

CALCULATED PROPERTIES

• Acid pKa: 14.105808
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.9339067
• LogD (pH = 7.4): -0.9248471
• Log P: -0.9247304
• Molar Refractivity: 42.4775 cm^3
• Polarizability: 14.869762 Å^3
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 228 - 232 °C; 228-232°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%