5-chloro-2-methoxypyridin-4-ol

• ChemBase ID: 814082
• Molecular Formular: C6H6ClNO2
• Molecular Mass: 159.57034
• Monoisotopic Mass: 159.00870612
• SMILES: n1c(cc(c(c1)Cl)O)OC
• Canonical SMILES: COc1ncc(c(c1)O)Cl
• InChI: InChI=1S/C6H6ClNO2/c1-10-6-2-5(9)4(7)3-8-6/h2-3H,1H3,(H,8,9)
• InChIKey: UGRXQMRKJKJLHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1196146-71-0

CALCULATED PROPERTIES

• Acid pKa: 8.552477
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4924593
• LogD (pH = 7.4): 1.4639499
• Log P: 1.492839
• Molar Refractivity: 37.4635 cm^3
• Polarizability: 14.537213 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%