3-aminopyridine-4-carbohydrazide

• ChemBase ID: 44140
• Molecular Formular: C6H8N4O
• Molecular Mass: 152.15392
• Monoisotopic Mass: 152.0698109
• SMILES: c1(C(=O)NN)c(N)cncc1
• Canonical SMILES: NNC(=O)c1ccncc1N
• InChI: InChI=1S/C6H8N4O/c7-5-3-9-2-1-4(5)6(11)10-8/h1-3H,7-8H2,(H,10,11)
• InChIKey: YEFPNWUYEOCTIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminopyridine-4-carbohydrazide
• IUPAC Traditional name: 3-aminopyridine-4-carbohydrazide
• Synonyms: 3-Aminoisonicotinohydrazide; 3-Aminoisonicotinic acid hydrazide; 3-Aminoisonicotinohydrazide; 3-Aminopyridine-4-carbohydrazide

Database IDs

• CAS Number: 64189-08-8
• MDL Number: MFCD09757489
• PubChem SID: 162048903
• PubChem CID: 468607

CALCULATED PROPERTIES

• Acid pKa: 14.020043
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.87404156
• LogD (pH = 7.4): -0.8692495
• Log P: -0.86918795
• Molar Refractivity: 42.164 cm^3
• Polarizability: 14.871612 Å^3
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 193 - 194 °C; 193-194°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%