7-bromoquinolin-3-amine

• ChemBase ID: 294729
• Molecular Formular: C9H7BrN2
• Molecular Mass: 223.06928
• Monoisotopic Mass: 221.97926023
• SMILES: Nc1cc2ccc(Br)cc2nc1
• Canonical SMILES: Brc1ccc2c(c1)ncc(c2)N
• InChI: InChI=1S/C9H7BrN2/c10-7-2-1-6-3-8(11)5-12-9(6)4-7/h1-5H,11H2
• InChIKey: CCHYPYCCQBLGLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromoquinolin-3-amine
• IUPAC Traditional name: 7-bromoquinolin-3-amine
• Synonyms: 7-Bromoquinolin-3-amine

Database IDs

• CAS Number: 1266322-58-0
• MDL Number: MFCD20258866
• PubChem SID: 180680260
• PubChem CID: 52554379

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0554843
• LogD (pH = 7.4): 2.0705316
• Log P: 2.070727
• Molar Refractivity: 52.3025 cm^3
• Polarizability: 20.763231 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%