tetrachloropyridin-4-ol

• ChemBase ID: 85888
• Molecular Formular: C5HCl4NO
• Molecular Mass: 232.87954
• Monoisotopic Mass: 230.88122438
• SMILES: n1c(c(c(c(c1Cl)Cl)O)Cl)Cl
• Canonical SMILES: Clc1nc(Cl)c(c(c1Cl)O)Cl
• InChI: InChI=1S/C5HCl4NO/c6-1-3(11)2(7)5(9)10-4(1)8/h(H,10,11)
• InChIKey: RURNAQBVEXFRFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrachloropyridin-4-ol
• IUPAC Traditional name: tetrachloropyridin-4-ol
• Synonyms: 2,3,5,6-tetrachloropyridin-4-ol

Database IDs

• MDL Number: MFCD00176934
• PubChem SID: 162073004
• PubChem CID: 78694

CALCULATED PROPERTIES

• Acid pKa: 6.782932
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.287048
• LogD (pH = 7.4): 2.6410012
• Log P: 3.308541
• Molar Refractivity: 47.2238 cm^3
• Polarizability: 18.110876 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true