2-(pyridin-2-yl)acetamide

• ChemBase ID: 295987
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: c1ccnc(c1)CC(=O)N
• Canonical SMILES: NC(=O)Cc1ccccn1
• InChI: InChI=1S/C7H8N2O/c8-7(10)5-6-3-1-2-4-9-6/h1-4H,5H2,(H2,8,10)
• InChIKey: UXVCEKRAZBZVSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-2-yl)acetamide
• IUPAC Traditional name: 2-pyridineacetamide
• Synonyms: 2-(2-Pyridyl)acetamide; 2-Pyridineacetamide; 吡啶-2-乙酰胺

Database IDs

• CAS Number: 5451-39-8
• MDL Number: MFCD00087532
• PubChem SID: 180681518
• PubChem CID: 227129

CALCULATED PROPERTIES

• Acid pKa: 15.656807
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.055033788
• LogD (pH = 7.4): -0.02812552
• Log P: -0.02777061
• Molar Refractivity: 36.6589 cm^3
• Polarizability: 14.321034 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118-120°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%