6-bromo-2-methoxy-4-methylquinoline

• ChemBase ID: 291437
• Molecular Formular: C11H10BrNO
• Molecular Mass: 252.1072
• Monoisotopic Mass: 250.99457595
• SMILES: Cc1cc(OC)nc2ccc(Br)cc12
• Canonical SMILES: COc1cc(C)c2c(n1)ccc(c2)Br
• InChI: InChI=1S/C11H10BrNO/c1-7-5-11(14-2)13-10-4-3-8(12)6-9(7)10/h3-6H,1-2H3
• InChIKey: RWIMTGNHIFFBGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-methoxy-4-methylquinoline
• IUPAC Traditional name: 6-bromo-2-methoxy-4-methylquinoline
• Synonyms: 6-Bromo-2-methoxy-4-methylquinoline

Database IDs

• CAS Number: 1187386-12-4
• MDL Number: MFCD12756430
• PubChem SID: 180676968
• PubChem CID: 46739383

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8495724
• LogD (pH = 7.4): 3.849857
• Log P: 3.8498607
• Molar Refractivity: 59.42 cm^3
• Polarizability: 23.9104 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%