6-chloro-2-methoxypyridin-3-ol

• ChemBase ID: 814090
• Molecular Formular: C6H6ClNO2
• Molecular Mass: 159.57034
• Monoisotopic Mass: 159.00870612
• SMILES: n1c(c(ccc1Cl)O)OC
• Canonical SMILES: COc1nc(Cl)ccc1O
• InChI: InChI=1S/C6H6ClNO2/c1-10-6-4(9)2-3-5(7)8-6/h2-3,9H,1H3
• InChIKey: UREBWPGQRNTHMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1196146-98-1

CALCULATED PROPERTIES

• Acid pKa: 8.836213
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7128199
• LogD (pH = 7.4): 1.6977246
• Log P: 1.7130162
• Molar Refractivity: 38.5248 cm^3
• Polarizability: 14.569942 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%