2-chloro-5-methoxypyridin-4-ol

• ChemBase ID: 814084
• Molecular Formular: C6H6ClNO2
• Molecular Mass: 159.57034
• Monoisotopic Mass: 159.00870612
• SMILES: n1c(cc(c(c1)OC)O)Cl
• Canonical SMILES: COc1cnc(cc1O)Cl
• InChI: InChI=1S/C6H6ClNO2/c1-10-5-3-8-6(7)2-4(5)9/h2-3H,1H3,(H,8,9)
• InChIKey: WSPBLJYJIRFADC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-methoxypyridin-4-ol
• IUPAC Traditional name: 2-chloro-5-methoxypyridin-4-ol
• Synonyms: 2-chloro-5-methoxypyridin-4-ol

Database IDs

• CAS Number: 1196145-74-0

CALCULATED PROPERTIES

• Acid pKa: 9.842832
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1185378
• LogD (pH = 7.4): 1.1170274
• Log P: 1.1185586
• Molar Refractivity: 38.2113 cm^3
• Polarizability: 14.564874 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%