2-chloro-6-methoxyquinoline

• ChemBase ID: 261451
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: n1c2c(cc(cc2)OC)ccc1Cl
• Canonical SMILES: COc1ccc2c(c1)ccc(n2)Cl
• InChI: InChI=1S/C10H8ClNO/c1-13-8-3-4-9-7(6-8)2-5-10(11)12-9/h2-6H,1H3
• InChIKey: ZFEJTYQUWRVCFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methoxyquinoline
• IUPAC Traditional name: 2-chloro-6-methoxyquinoline
• Synonyms: 2-chloro-6-methoxyquinoline

Database IDs

• CAS Number: 13676-02-3
• MDL Number: MFCD00799212
• PubChem SID: 164317361
• PubChem CID: 83647

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7974453
• LogD (pH = 7.4): 2.797451
• Log P: 2.797451
• Molar Refractivity: 52.3086 cm^3
• Polarizability: 21.38275 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103 - 105°C
• Hydrophobicity(logP): 3.074

Product Information

• Purity: 95%; 95+%; 98%