7-bromo-4-methylquinoline

• ChemBase ID: 288817
• Molecular Formular: C10H8BrN
• Molecular Mass: 222.08122
• Monoisotopic Mass: 220.98401126
• SMILES: Cc1ccnc2c1ccc(Br)c2
• Canonical SMILES: Brc1ccc2c(c1)nccc2C
• InChI: InChI=1S/C10H8BrN/c1-7-4-5-12-10-6-8(11)2-3-9(7)10/h2-6H,1H3
• InChIKey: AGMXSOARXXPPIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-4-methylquinoline
• IUPAC Traditional name: 7-bromo-4-methylquinoline
• Synonyms: 7-Bromo-4-methylquinoline

Database IDs

• CAS Number: 141052-31-5
• PubChem SID: 180674348
• PubChem CID: 21992551

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3729367
• LogD (pH = 7.4): 3.412543
• Log P: 3.4130745
• Molar Refractivity: 52.6433 cm^3
• Polarizability: 21.366747 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%