3-bromoquinolin-2-amine

• ChemBase ID: 289411
• Molecular Formular: C9H7BrN2
• Molecular Mass: 223.06928
• Monoisotopic Mass: 221.97926023
• SMILES: Nc1nc2ccccc2cc1Br
• Canonical SMILES: Brc1cc2ccccc2nc1N
• InChI: InChI=1S/C9H7BrN2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H,(H2,11,12)
• InChIKey: CVEFDUOXWWDNET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromoquinolin-2-amine
• IUPAC Traditional name: 3-bromoquinolin-2-amine
• Synonyms: 3-Bromoquinolin-2-amine

Database IDs

• CAS Number: 36825-31-7
• MDL Number: MFCD18255384
• PubChem SID: 180674942
• PubChem CID: 22674109

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6236346
• LogD (pH = 7.4): 2.6646354
• Log P: 2.6651847
• Molar Refractivity: 52.616 cm^3
• Polarizability: 20.772207 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%