8-bromoquinolin-2-amine

• ChemBase ID: 237465
• Molecular Formular: C9H7BrN2
• Molecular Mass: 223.06928
• Monoisotopic Mass: 221.97926023
• SMILES: n1c2c(Br)cccc2ccc1N
• Canonical SMILES: Nc1ccc2c(n1)c(Br)ccc2
• InChI: InChI=1S/C9H7BrN2/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H,(H2,11,12)
• InChIKey: JCZCFNGKDJIKQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromoquinolin-2-amine
• IUPAC Traditional name: 8-bromoquinolin-2-amine
• Synonyms: 8-bromoquinolin-2-amine

Database IDs

• MDL Number: MFCD08062652
• PubChem SID: 164293375
• PubChem CID: 33746207

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5831816
• LogD (pH = 7.4): 2.6640465
• Log P: 2.6651847
• Molar Refractivity: 52.616 cm^3
• Polarizability: 20.770845 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152 - 154°C
• Hydrophobicity(logP): 2.657

Product Information

• Purity: 95%