4-bromoquinolin-6-amine

• ChemBase ID: 90508
• Molecular Formular: C9H7BrN2
• Molecular Mass: 223.06928
• Monoisotopic Mass: 221.97926023
• SMILES: n1ccc(c2cc(ccc12)N)Br
• Canonical SMILES: Nc1ccc2c(c1)c(Br)ccn2
• InChI: InChI=1S/C9H7BrN2/c10-8-3-4-12-9-2-1-6(11)5-7(8)9/h1-5H,11H2
• InChIKey: IPBLCYPXZCWACR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromoquinolin-6-amine
• IUPAC Traditional name: 4-bromoquinolin-6-amine
• Synonyms: 4-Bromoquinolin-6-amine; 6-Amino-4-bromo-1-azanaphthalene; 6-Amino-4-bromoquinoline

Database IDs

• MDL Number: MFCD16659607
• PubChem SID: 162077305
• PubChem CID: 70700505

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0555394
• LogD (pH = 7.4): 2.0705323
• Log P: 2.070727
• Molar Refractivity: 52.3025 cm^3
• Polarizability: 20.767876 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Light Sensitive/Air Sensitive/Store under Argon