4-chloro-6-methoxypyridin-3-ol

• ChemBase ID: 814445
• Molecular Formular: C6H6ClNO2
• Molecular Mass: 159.57034
• Monoisotopic Mass: 159.00870612
• SMILES: n1cc(c(cc1OC)Cl)O
• Canonical SMILES: COc1ncc(c(c1)Cl)O
• InChI: InChI=1S/C6H6ClNO2/c1-10-6-2-4(7)5(9)3-8-6/h2-3,9H,1H3
• InChIKey: MOSKQZVEDGSQCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-methoxypyridin-3-ol
• IUPAC Traditional name: 4-chloro-6-methoxypyridin-3-ol
• Synonyms: 4-chloro-6-methoxypyridin-3-ol

Database IDs

• CAS Number: 1196152-16-5

CALCULATED PROPERTIES

• Acid pKa: 7.734148
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4902263
• LogD (pH = 7.4): 1.3314736
• Log P: 1.492839
• Molar Refractivity: 37.4635 cm^3
• Polarizability: 14.537237 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%