2-[(4-chloro-2-methylpyridin-3-yl)oxy]acetamide

• ChemBase ID: 84312
• Molecular Formular: C8H9ClN2O2
• Molecular Mass: 200.62226
• Monoisotopic Mass: 200.03525522
• SMILES: O(c1c(ccnc1C)Cl)CC(=O)N
• Canonical SMILES: NC(=O)COc1c(Cl)ccnc1C
• InChI: InChI=1S/C8H9ClN2O2/c1-5-8(13-4-7(10)12)6(9)2-3-11-5/h2-3H,4H2,1H3,(H2,10,12)
• InChIKey: VTCWKHGOXAYWII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-chloro-2-methylpyridin-3-yl)oxy]acetamide
• IUPAC Traditional name: 2-[(4-chloro-2-methylpyridin-3-yl)oxy]acetamide
• Synonyms: 2-[(4-chloro-2-methyl-3-pyridyl)oxy]acetamide

Database IDs

• MDL Number: MFCD00831549
• PubChem SID: 162071428
• PubChem CID: 2781872

CALCULATED PROPERTIES

• Acid pKa: 14.09562
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.07271132
• LogD (pH = 7.4): 0.0032898784
• Log P: 0.0043576634
• Molar Refractivity: 47.6674 cm^3
• Polarizability: 18.74374 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true