5-chloro-6-fluoropyridin-3-ol

• ChemBase ID: 286730
• Molecular Formular: C5H3ClFNO
• Molecular Mass: 147.5348232
• Monoisotopic Mass: 146.98871962
• SMILES: Oc1cnc(F)c(Cl)c1
• Canonical SMILES: Oc1cnc(c(c1)Cl)F
• InChI: InChI=1S/C5H3ClFNO/c6-4-1-3(9)2-8-5(4)7/h1-2,9H
• InChIKey: IETLNKVWDZYCPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-6-fluoropyridin-3-ol
• IUPAC Traditional name: 5-chloro-6-fluoropyridin-3-ol
• Synonyms: 3-Chloro-2-fluoro-5-hydroxypyridine

Database IDs

• CAS Number: 209328-72-3
• MDL Number: MFCD08061311
• PubChem SID: 180672261
• PubChem CID: 22451555

CALCULATED PROPERTIES

• Acid pKa: 7.869841
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5908713
• LogD (pH = 7.4): 1.4687128
• Log P: 1.5926853
• Molar Refractivity: 31.9179 cm^3
• Polarizability: 11.816931 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%