2-bromo-3-fluoropyridin-4-ol

• ChemBase ID: 98186
• Molecular Formular: C5H3BrFNO
• Molecular Mass: 191.9858232
• Monoisotopic Mass: 190.93820394
• SMILES: Brc1c(c(ccn1)O)F
• Canonical SMILES: Oc1ccnc(c1F)Br
• InChI: InChI=1S/C5H3BrFNO/c6-5-4(7)3(9)1-2-8-5/h1-2H,(H,8,9)
• InChIKey: VCVUPJYFPKDKGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-fluoropyridin-4-ol
• IUPAC Traditional name: 2-bromo-3-fluoropyridin-4-ol
• Synonyms: 2-Bromo-3-fluoropyridin-4-ol; 2-Bromo-3-fluoro-4-hydroxypyridine

Database IDs

• PubChem SID: 162105079
• PubChem CID: 57415770

CALCULATED PROPERTIES

• Molar Refractivity: 34.5634 cm^3
• Polarizability: 12.967779 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 9.089772
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5688756
• LogD (pH = 7.4): 1.5604101
• Log P: 1.5689846

PROPERTIES

Safety Information

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