(7-chloroquinolin-8-yl)methanol

• ChemBase ID: 248079
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: c1(c2ncccc2ccc1Cl)CO
• Canonical SMILES: OCc1c(Cl)ccc2c1nccc2
• InChI: InChI=1S/C10H8ClNO/c11-9-4-3-7-2-1-5-12-10(7)8(9)6-13/h1-5,13H,6H2
• InChIKey: GAXWGAXWVVGHHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7-chloroquinolin-8-yl)methanol
• IUPAC Traditional name: (7-chloroquinolin-8-yl)methanol
• Synonyms: (7-chloroquinolin-8-yl)methanol

Database IDs

• PubChem SID: 164303989
• PubChem CID: 21271234

CALCULATED PROPERTIES

• Acid pKa: 14.751715
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9656343
• LogD (pH = 7.4): 1.9675707
• Log P: 1.9675953
• Molar Refractivity: 51.6 cm^3
• Polarizability: 21.26796 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93 - 95°C
• Hydrophobicity(logP): 1.767

Product Information

• Purity: 95%