6-bromo-N-methylnaphthalene-2-carboxamide

• ChemBase ID: 288021
• Molecular Formular: C12H10BrNO
• Molecular Mass: 264.1179
• Monoisotopic Mass: 262.99457595
• SMILES: O=C(NC)c1ccc2cc(Br)ccc2c1
• Canonical SMILES: CNC(=O)c1ccc2c(c1)ccc(c2)Br
• InChI: InChI=1S/C12H10BrNO/c1-14-12(15)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3,(H,14,15)
• InChIKey: HPUCFMPIKISIIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-N-methylnaphthalene-2-carboxamide
• IUPAC Traditional name: 6-bromo-N-methylnaphthalene-2-carboxamide
• Synonyms: 6-Bromo-N-methyl-2-naphthamide; 6-bromo-n-methyl-2-Naphthalenecarboxamide

Database IDs

• CAS Number: 426219-35-4
• PubChem SID: 180673552
• PubChem CID: 21879628

CALCULATED PROPERTIES

• Acid pKa: 14.944532
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8057914
• LogD (pH = 7.4): 2.8057916
• Log P: 2.8057916
• Molar Refractivity: 64.1061 cm^3
• Polarizability: 25.187778 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%