N-(4-bromopyridin-2-yl)acetamide

• ChemBase ID: 291997
• Molecular Formular: C7H7BrN2O
• Molecular Mass: 215.04728
• Monoisotopic Mass: 213.97417485
• SMILES: CC(=O)Nc1nccc(Br)c1
• Canonical SMILES: CC(=O)Nc1cc(Br)ccn1
• InChI: InChI=1S/C7H7BrN2O/c1-5(11)10-7-4-6(8)2-3-9-7/h2-4H,1H3,(H,9,10,11)
• InChIKey: LFMGMKPLBDZJLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-bromopyridin-2-yl)acetamide
• IUPAC Traditional name: N-(4-bromopyridin-2-yl)acetamide
• Synonyms: N-(4-Bromopyridin-2-yl)acetamide

Database IDs

• CAS Number: 1026796-81-5
• PubChem SID: 180677528
• PubChem CID: 59529635

CALCULATED PROPERTIES

• Acid pKa: 12.089521
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3552611
• LogD (pH = 7.4): 1.3564699
• Log P: 1.356494
• Molar Refractivity: 46.7004 cm^3
• Polarizability: 17.235136 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%