2-chloro-5-fluoropyridin-4-ol

• ChemBase ID: 814085
• Molecular Formular: C5H3ClFNO
• Molecular Mass: 147.5348232
• Monoisotopic Mass: 146.98871962
• SMILES: n1c(cc(c(c1)F)O)Cl
• Canonical SMILES: Clc1ncc(c(c1)O)F
• InChI: InChI=1S/C5H3ClFNO/c6-5-1-4(9)3(7)2-8-5/h1-2H,(H,8,9)
• InChIKey: SESOMTJUSDACSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-fluoropyridin-4-ol
• IUPAC Traditional name: 2-chloro-5-fluoropyridin-4-ol
• Synonyms: 2-chloro-5-fluoropyridin-4-ol

Database IDs

• CAS Number: 1196153-96-4

CALCULATED PROPERTIES

• Acid pKa: 8.347124
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4183294
• LogD (pH = 7.4): 1.3736131
• Log P: 1.4189318
• Molar Refractivity: 31.9645 cm^3
• Polarizability: 11.829135 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%