2-(pyridin-3-yloxy)acetamide

• ChemBase ID: 267223
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: C(=O)(COc1cnccc1)N
• Canonical SMILES: NC(=O)COc1cccnc1
• InChI: InChI=1S/C7H8N2O2/c8-7(10)5-11-6-2-1-3-9-4-6/h1-4H,5H2,(H2,8,10)
• InChIKey: VIIGRJHHIKFIDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-3-yloxy)acetamide
• IUPAC Traditional name: 2-(pyridin-3-yloxy)acetamide
• Synonyms: 2-(pyridin-3-yloxy)acetamide

Database IDs

• MDL Number: MFCD01646178
• PubChem SID: 164323133
• PubChem CID: 18347830

CALCULATED PROPERTIES

• Acid pKa: 14.901568
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7967245
• LogD (pH = 7.4): -0.7319656
• Log P: -0.73105717
• Molar Refractivity: 38.2711 cm^3
• Polarizability: 15.031257 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93 - 95°C
• Hydrophobicity(logP): -0.44

Product Information

• Purity: 95%