2-chloroquinolin-5-ol

• ChemBase ID: 289094
• Molecular Formular: C9H6ClNO
• Molecular Mass: 179.60304
• Monoisotopic Mass: 179.0137915
• SMILES: Oc1c2ccc(Cl)nc2ccc1
• Canonical SMILES: Clc1ccc2c(n1)cccc2O
• InChI: InChI=1S/C9H6ClNO/c10-9-5-4-6-7(11-9)2-1-3-8(6)12/h1-5,12H
• InChIKey: MVDHRGKTFBOLDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloroquinolin-5-ol
• IUPAC Traditional name: 2-chloroquinolin-5-ol
• Synonyms: 2-Chloroquinolin-5-ol

Database IDs

• CAS Number: 124467-35-2
• MDL Number: MFCD18086931
• PubChem SID: 180674625
• PubChem CID: 10888512

CALCULATED PROPERTIES

• Acid pKa: 8.731983
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6512828
• LogD (pH = 7.4): 2.6319203
• Log P: 2.651557
• Molar Refractivity: 47.8263 cm^3
• Polarizability: 19.473888 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%