7-bromoquinolin-5-amine

• ChemBase ID: 293210
• Molecular Formular: C9H7BrN2
• Molecular Mass: 223.06928
• Monoisotopic Mass: 221.97926023
• SMILES: Nc1c2cccnc2cc(Br)c1
• Canonical SMILES: Brc1cc(N)c2c(c1)nccc2
• InChI: InChI=1S/C9H7BrN2/c10-6-4-8(11)7-2-1-3-12-9(7)5-6/h1-5H,11H2
• InChIKey: PQSQRUCHYXVDQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromoquinolin-5-amine
• IUPAC Traditional name: 7-bromoquinolin-5-amine
• Synonyms: 7-Bromoquinolin-5-amine

Database IDs

• MDL Number: MFCD20258876
• PubChem SID: 180678741
• PubChem CID: 71607203

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.036916
• LogD (pH = 7.4): 2.070283
• Log P: 2.070727
• Molar Refractivity: 52.3025 cm^3
• Polarizability: 20.765116 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%