N-(6-methylpyridin-2-yl)acetamide

• ChemBase ID: 294168
• Molecular Formular: C8H10N2O
• Molecular Mass: 150.1778
• Monoisotopic Mass: 150.07931295
• SMILES: CC(=O)Nc1nc(C)ccc1
• Canonical SMILES: CC(=O)Nc1cccc(n1)C
• InChI: InChI=1S/C8H10N2O/c1-6-4-3-5-8(9-6)10-7(2)11/h3-5H,1-2H3,(H,9,10,11)
• InChIKey: UEXYAZLLFZIXHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methylpyridin-2-yl)acetamide
• IUPAC Traditional name: N-(6-methylpyridin-2-yl)acetamide
• Synonyms: N-(6-Methylpyridin-2-yl)acetamide; 6-Acetamido-2-picoline; 2-Acetamido-6-methylpyridine; 2-乙酰胺-6-甲基吡啶

Database IDs

• CAS Number: 5327-33-3
• MDL Number: MFCD00091881
• PubChem SID: 180679699
• PubChem CID: 220486

CALCULATED PROPERTIES

• Acid pKa: 12.173468
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6421925
• LogD (pH = 7.4): 0.7180417
• Log P: 0.71911144
• Molar Refractivity: 43.6691 cm^3
• Polarizability: 16.077824 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

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: P280G-P305+P351+P338

Product Information

• Purity: 95+%; 98%