6-chloro-5-fluoropyridin-3-ol

• ChemBase ID: 67227
• Molecular Formular: C5H3ClFNO
• Molecular Mass: 147.5348232
• Monoisotopic Mass: 146.98871962
• SMILES: c1(c(cc(cn1)O)F)Cl
• Canonical SMILES: Oc1cnc(c(c1)F)Cl
• InChI: InChI=1S/C5H3ClFNO/c6-5-4(7)1-3(9)2-8-5/h1-2,9H
• InChIKey: VEHUGRIKMHCJLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 870062-76-3
• MDL Number: MFCD03411573
• PubChem SID: 162032963
• PubChem CID: 40424737

CALCULATED PROPERTIES

• Acid pKa: 7.4968505
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4146676
• LogD (pH = 7.4): 1.1706121
• Log P: 1.4189318
• Molar Refractivity: 31.9645 cm^3
• Polarizability: 11.851096 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%