2-chloro-6-methoxypyridin-3-ol

• ChemBase ID: 814077
• Molecular Formular: C6H6ClNO2
• Molecular Mass: 159.57034
• Monoisotopic Mass: 159.00870612
• SMILES: n1c(c(ccc1OC)O)Cl
• Canonical SMILES: COc1ccc(c(n1)Cl)O
• InChI: InChI=1S/C6H6ClNO2/c1-10-5-3-2-4(9)6(7)8-5/h2-3,9H,1H3
• InChIKey: AFDFZFATXKCOJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methoxypyridin-3-ol
• IUPAC Traditional name: 2-chloro-6-methoxypyridin-3-ol
• Synonyms: 2-chloro-6-methoxypyridin-3-ol

Database IDs

• CAS Number: 1196145-59-1

CALCULATED PROPERTIES

• Acid pKa: 7.8219705
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.710992
• LogD (pH = 7.4): 1.5768169
• Log P: 1.7130162
• Molar Refractivity: 38.5248 cm^3
• Polarizability: 14.59215 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%