N-(6-bromopyridin-2-yl)-N-methylacetamide

• ChemBase ID: 290649
• Molecular Formular: C8H9BrN2O
• Molecular Mass: 229.07386
• Monoisotopic Mass: 227.98982492
• SMILES: CC(=O)N(c1nc(Br)ccc1)C
• Canonical SMILES: CN(c1cccc(n1)Br)C(=O)C
• InChI: InChI=1S/C8H9BrN2O/c1-6(12)11(2)8-5-3-4-7(9)10-8/h3-5H,1-2H3
• InChIKey: ROJDZKLSUROPIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-bromopyridin-2-yl)-N-methylacetamide
• IUPAC Traditional name: N-(6-bromopyridin-2-yl)-N-methylacetamide
• Synonyms: N-(6-Bromopyridin-2-yl)-N-methylacetamide

Database IDs

• CAS Number: 1133116-43-4
• PubChem SID: 180676180
• PubChem CID: 46739364

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4260819
• LogD (pH = 7.4): 1.426082
• Log P: 1.426082
• Molar Refractivity: 50.6585 cm^3
• Polarizability: 19.090027 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%