2-chloro-7-fluoroquinoline

• ChemBase ID: 283044
• Molecular Formular: C9H5ClFN
• Molecular Mass: 181.5941032
• Monoisotopic Mass: 181.00945507
• SMILES: n1c2cc(ccc2ccc1Cl)F
• Canonical SMILES: Fc1ccc2c(c1)nc(cc2)Cl
• InChI: InChI=1S/C9H5ClFN/c10-9-4-2-6-1-3-7(11)5-8(6)12-9/h1-5H
• InChIKey: CZWRXWIIFBLBEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-7-fluoroquinoline
• IUPAC Traditional name: 2-chloro-7-fluoroquinoline
• Synonyms: 2-chloro-7-fluoroquinoline

Database IDs

• MDL Number: MFCD09261127
• PubChem SID: 180668575
• PubChem CID: 53749089

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.097823
• LogD (pH = 7.4): 3.0978243
• Log P: 3.0978243
• Molar Refractivity: 46.0618 cm^3
• Polarizability: 18.515924 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97 - 99°C
• Hydrophobicity(logP): 2.991

Product Information

• Purity: 95%