3-(pyridin-3-yl)propanehydrazide

• ChemBase ID: 267277
• Molecular Formular: C8H11N3O
• Molecular Mass: 165.19244
• Monoisotopic Mass: 165.09021199
• SMILES: C(=O)(NN)CCc1cnccc1
• Canonical SMILES: NNC(=O)CCc1cccnc1
• InChI: InChI=1S/C8H11N3O/c9-11-8(12)4-3-7-2-1-5-10-6-7/h1-2,5-6H,3-4,9H2,(H,11,12)
• InChIKey: ORYMOFUDUJDDES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyridin-3-yl)propanehydrazide
• IUPAC Traditional name: 3-(pyridin-3-yl)propanehydrazide
• Synonyms: 3-(pyridin-3-yl)propanehydrazide

Database IDs

• MDL Number: MFCD08061558
• PubChem SID: 164323187
• PubChem CID: 23532277

CALCULATED PROPERTIES

• Acid pKa: 12.478027
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.35998943
• LogD (pH = 7.4): -0.26688582
• Log P: -0.26552796
• Molar Refractivity: 46.116 cm^3
• Polarizability: 17.589853 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92 - 94°C
• Hydrophobicity(logP): -1.024

Product Information

• Purity: 95%