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

• ChemBase ID: 311242
• Molecular Formular: C9H9BrN2O
• Molecular Mass: 241.08456
• Monoisotopic Mass: 239.98982492
• SMILES: C(=O)(Nc1ncc(Br)cc1)C1CC1
• Canonical SMILES: O=C(C1CC1)Nc1ccc(cn1)Br
• InChI: InChI=1S/C9H9BrN2O/c10-7-3-4-8(11-5-7)12-9(13)6-1-2-6/h3-6H,1-2H2,(H,11,12,13)
• InChIKey: GACXRAMFHQCJTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 186253-84-9
• MDL Number: MFCD01593811

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1360316
• LogD (pH = 7.4): 2.1362772
• Log P: 2.13629
• Molar Refractivity: 54.0996 cm^3
• Polarizability: 20.155159 Å^3
• Polar Surface Area: 41.99 Å^2