5-chloro-2-fluoropyridin-3-ol

• ChemBase ID: 290009
• Molecular Formular: C5H3ClFNO
• Molecular Mass: 147.5348232
• Monoisotopic Mass: 146.98871962
• SMILES: Oc1cc(Cl)cnc1F
• Canonical SMILES: Clc1cnc(c(c1)O)F
• InChI: InChI=1S/C5H3ClFNO/c6-3-1-4(9)5(7)8-2-3/h1-2,9H
• InChIKey: OHFSMJDOYAPSOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-fluoropyridin-3-ol
• IUPAC Traditional name: 5-chloro-2-fluoropyridin-3-ol
• Synonyms: 5-Chloro-2-fluoropyridin-3-ol

Database IDs

• CAS Number: 1003711-65-6
• PubChem SID: 180675540
• PubChem CID: 29919387

CALCULATED PROPERTIES

• Acid pKa: 6.9681625
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5785235
• LogD (pH = 7.4): 1.0526263
• Log P: 1.5926853
• Molar Refractivity: 31.9179 cm^3
• Polarizability: 11.78952 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%