2-chloro-3-fluoropyridin-4-ol

• ChemBase ID: 98185
• Molecular Formular: C5H3ClFNO
• Molecular Mass: 147.5348232
• Monoisotopic Mass: 146.98871962
• SMILES: n1c(c(c(cc1)O)F)Cl
• Canonical SMILES: Oc1ccnc(c1F)Cl
• InChI: InChI=1S/C5H3ClFNO/c6-5-4(7)3(9)1-2-8-5/h1-2H,(H,8,9)
• InChIKey: KMUSIJQLKVODNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-fluoropyridin-4-ol
• IUPAC Traditional name: 2-chloro-3-fluoropyridin-4-ol
• Synonyms: 2-chloro-3-fluoropyridin-4-ol; 2-Chloro-3-fluoropyridin-4-ol; 2-Chloro-3-fluoro-4-hydroxypyridine

Database IDs

• CAS Number: 1184172-46-0
• PubChem SID: 162084642
• PubChem CID: 70700710

CALCULATED PROPERTIES

• Acid pKa: 8.469504
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4184769
• LogD (pH = 7.4): 1.384273
• Log P: 1.4189318
• Molar Refractivity: 31.9645 cm^3
• Polarizability: 11.856025 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon

Product Information

• Purity: 98%