3-(2-chloro-4-fluorophenyl)pyridin-2-ol

• ChemBase ID: 527948
• Molecular Formular: C11H7ClFNO
• Molecular Mass: 223.6307832
• Monoisotopic Mass: 223.02001975
• SMILES: c1(c2c(nccc2)O)c(cc(cc1)F)Cl
• Canonical SMILES: Fc1ccc(c(c1)Cl)c1cccnc1O
• InChI: InChI=1S/C11H7ClFNO/c12-10-6-7(13)3-4-8(10)9-2-1-5-14-11(9)15/h1-6H,(H,14,15)
• InChIKey: MLQRZIKTVANCLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-chloro-4-fluorophenyl)pyridin-2-ol
• IUPAC Traditional name: 3-(2-chloro-4-fluorophenyl)pyridin-2-ol
• Synonyms: 3-(2-chloro-4-fluorophenyl)pyridin-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.421143
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4402637
• LogD (pH = 7.4): 3.4403946
• Log P: 3.4404376
• Molar Refractivity: 56.3529 cm^3
• Polarizability: 22.522202 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.96
• LOG S: -3.36
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1