7-chloroquinolin-2-ol

• ChemBase ID: 67994
• Molecular Formular: C9H6ClNO
• Molecular Mass: 179.60304
• Monoisotopic Mass: 179.0137915
• SMILES: n1c(ccc2ccc(cc12)Cl)O
• Canonical SMILES: Clc1ccc2c(c1)nc(cc2)O
• InChI: InChI=1S/C9H6ClNO/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5H,(H,11,12)
• InChIKey: SDRJFDTZVULXDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloroquinolin-2-ol
• IUPAC Traditional name: 7-chloroquinolin-2-ol
• Synonyms: 7-Chloro-2-hydroxyquinoline

Database IDs

• CAS Number: 22614-72-8
• PubChem SID: 162033726
• PubChem CID: 344137

CALCULATED PROPERTIES

• Acid pKa: 11.833492
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.025825
• LogD (pH = 7.4): 3.0258214
• Log P: 3.0258374
• Molar Refractivity: 47.0785 cm^3
• Polarizability: 19.40935 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%