2-chloro-6-fluoroquinoline

• ChemBase ID: 294252
• Molecular Formular: C9H5ClFN
• Molecular Mass: 181.5941032
• Monoisotopic Mass: 181.00945507
• SMILES: Fc1ccc2nc(Cl)ccc2c1
• Canonical SMILES: Fc1ccc2c(c1)ccc(n2)Cl
• InChI: InChI=1S/C9H5ClFN/c10-9-4-1-6-5-7(11)2-3-8(6)12-9/h1-5H
• InChIKey: USAYWGMYCNWTGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-fluoroquinoline
• IUPAC Traditional name: 2-chloro-6-fluoroquinoline
• Synonyms: 2-Chloro-6-fluoroquinoline

Database IDs

• CAS Number: 77119-53-0
• MDL Number: MFCD08236768
• PubChem SID: 180679783
• PubChem CID: 15059433

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0978236
• LogD (pH = 7.4): 3.0978243
• Log P: 3.0978243
• Molar Refractivity: 46.0618 cm^3
• Polarizability: 18.515024 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%