6-(morpholin-4-yl)pyridine-3-carbohydrazide

• ChemBase ID: 80671
• Molecular Formular: C10H14N4O2
• Molecular Mass: 222.24376
• Monoisotopic Mass: 222.11167571
• SMILES: n1c(ccc(c1)C(=O)NN)N1CCOCC1
• Canonical SMILES: NNC(=O)c1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C10H14N4O2/c11-13-10(15)8-1-2-9(12-7-8)14-3-5-16-6-4-14/h1-2,7H,3-6,11H2,(H,13,15)
• InChIKey: POOWVLHXEUFOEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)pyridine-3-carbohydrazide
• IUPAC Traditional name: 6-(morpholin-4-yl)pyridine-3-carbohydrazide
• Synonyms: 6-(4-Morpholino)nicotinohydrazide; 6-(Morpholin-4-yl)nicotinic acid hydrazide; 6-morpholinonicotinohydrazide

Database IDs

• CAS Number: 388088-71-9
• MDL Number: MFCD03407297
• PubChem SID: 162067791
• PubChem CID: 2776467

CALCULATED PROPERTIES

• Acid pKa: 14.04355
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.21026789
• LogD (pH = 7.4): -0.20631178
• Log P: -0.20626107
• Molar Refractivity: 61.2802 cm^3
• Polarizability: 22.205801 Å^3
• Polar Surface Area: 80.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 196-198°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%