2-bromo-5-fluoropyridin-4-ol

• ChemBase ID: 98184
• Molecular Formular: C5H3BrFNO
• Molecular Mass: 191.9858232
• Monoisotopic Mass: 190.93820394
• SMILES: n1c(cc(c(c1)F)O)Br
• Canonical SMILES: Brc1ncc(c(c1)O)F
• InChI: InChI=1S/C5H3BrFNO/c6-5-1-4(9)3(7)2-8-5/h1-2H,(H,8,9)
• InChIKey: FMIJSVNNAUFAAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-fluoropyridin-4-ol
• IUPAC Traditional name: 2-bromo-5-fluoropyridin-4-ol
• Synonyms: 2-Bromo-5-fluoropyridin-4-ol; 2-Bromo-5-fluoro-4-hydroxypyridine; 2-bromo-5-fluoropyridin-4-ol

Database IDs

• CAS Number: 1196152-88-1
• PubChem SID: 162084641
• PubChem CID: 71299633

CALCULATED PROPERTIES

• Acid pKa: 8.346922
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5683818
• LogD (pH = 7.4): 1.523646
• Log P: 1.5689846
• Molar Refractivity: 34.5634 cm^3
• Polarizability: 12.961505 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon

Product Information

• Purity: 98%