N-(5-bromo-6-methylpyridin-2-yl)propanamide

• ChemBase ID: 312008
• Molecular Formular: C9H11BrN2O
• Molecular Mass: 243.10044
• Monoisotopic Mass: 242.00547498
• SMILES: n1c(NC(=O)CC)ccc(c1C)Br
• Canonical SMILES: Cc1nc(NC(=O)CC)ccc1Br
• InChI: InChI=1S/C9H11BrN2O/c1-3-9(13)12-8-5-4-7(10)6(2)11-8/h4-5H,3H2,1-2H3,(H,11,12,13)
• InChIKey: DUJQWEAOAOXMLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-bromo-6-methylpyridin-2-yl)propanamide
• IUPAC Traditional name: N-(5-bromo-6-methylpyridin-2-yl)propanamide
• Synonyms: N-(5-bromo-6-methyl-2-pyridinyl)propanamide

Database IDs

• CAS Number: 638140-68-8
• MDL Number: MFCD03864143

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1862135
• LogD (pH = 7.4): 2.188364
• Log P: 2.1884
• Molar Refractivity: 55.9188 cm^3
• Polarizability: 20.78207 Å^3
• Polar Surface Area: 41.99 Å^2