N-(5-bromopyridin-2-yl)butanamide

• ChemBase ID: 311234
• Molecular Formular: C9H11BrN2O
• Molecular Mass: 243.10044
• Monoisotopic Mass: 242.00547498
• SMILES: N(c1ncc(Br)cc1)C(=O)CCC
• Canonical SMILES: CCCC(=O)Nc1ccc(cn1)Br
• InChI: InChI=1S/C9H11BrN2O/c1-2-3-9(13)12-8-5-4-7(10)6-11-8/h4-6H,2-3H2,1H3,(H,11,12,13)
• InChIKey: GPUHGOJHYYRRJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-bromopyridin-2-yl)butanamide
• IUPAC Traditional name: N-(5-bromopyridin-2-yl)butanamide
• Synonyms: N-(5-bromo-2-pyridinyl)butanamide

Database IDs

• CAS Number: 148612-12-8
• MDL Number: MFCD02210530

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5013366
• LogD (pH = 7.4): 2.5015867
• Log P: 2.5015984
• Molar Refractivity: 55.9283 cm^3
• Polarizability: 20.850306 Å^3
• Polar Surface Area: 41.99 Å^2