5-fluoro-2-methoxypyridin-4-ol

• ChemBase ID: 98193
• Molecular Formular: C6H6FNO2
• Molecular Mass: 143.1157432
• Monoisotopic Mass: 143.03825666
• SMILES: n1c(cc(c(c1)F)O)OC
• Canonical SMILES: COc1ncc(c(c1)O)F
• InChI: InChI=1S/C6H6FNO2/c1-10-6-2-5(9)4(7)3-8-6/h2-3H,1H3,(H,8,9)
• InChIKey: OJCLMTIPKJDNHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-methoxypyridin-4-ol
• IUPAC Traditional name: 5-fluoro-2-methoxypyridin-4-ol
• Synonyms: 5-Fluoro-2-methoxypyridin-4-ol; 5-Fluoro-4-hydroxypyridin-2-yl methyl ether; 5-Fluoro-4-hydroxy-2-methoxypyridine; 5-fluoro-2-methoxypyridin-4-ol

Database IDs

• CAS Number: 51173-14-9
• PubChem SID: 162105080
• PubChem CID: 21827423

CALCULATED PROPERTIES

• Acid pKa: 8.989085
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0313578
• LogD (pH = 7.4): 1.0207133
• Log P: 1.0314963
• Molar Refractivity: 32.8751 cm^3
• Polarizability: 12.357835 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon

Product Information

• Purity: 98%