4-bromo-6-methylquinoline

• ChemBase ID: 309035
• Molecular Formular: C10H8BrN
• Molecular Mass: 222.08122
• Monoisotopic Mass: 220.98401126
• SMILES: c12c(nccc1Br)ccc(c2)C
• Canonical SMILES: Cc1ccc2c(c1)c(Br)ccn2
• InChI: InChI=1S/C10H8BrN/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
• InChIKey: UMYVTXZXVRDOMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-6-methylquinoline
• IUPAC Traditional name: 4-bromo-6-methylquinoline
• Synonyms: 4-bromo-6-methylquinoline

Database IDs

• CAS Number: 1070879-23-0
• MDL Number: MFCD11505108

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.408195
• LogD (pH = 7.4): 3.4130127
• Log P: 3.4130745
• Molar Refractivity: 52.6433 cm^3
• Polarizability: 21.371153 Å^3
• Polar Surface Area: 12.89 Å^2