4-[(3,5-dichloropyridin-2-yl)oxy]phenol

• ChemBase ID: 72229
• Molecular Formular: C11H7Cl2NO2
• Molecular Mass: 256.08478
• Monoisotopic Mass: 254.98538383
• SMILES: c1(ncc(cc1Cl)Cl)Oc1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl
• InChI: InChI=1S/C11H7Cl2NO2/c12-7-5-10(13)11(14-6-7)16-9-3-1-8(15)2-4-9/h1-6,15H
• InChIKey: NWFAJOGQUGZVOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3,5-dichloropyridin-2-yl)oxy]phenol
• IUPAC Traditional name: 4-[(3,5-dichloropyridin-2-yl)oxy]phenol
• Synonyms: 4-[(3,5-Dichloropyridin-2-yl)oxy]phenol

Database IDs

• PubChem SID: 162104061
• PubChem CID: 620880

CALCULATED PROPERTIES

• Acid pKa: 9.579073
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.754806
• LogD (pH = 7.4): 3.7519927
• Log P: 3.754842
• Molar Refractivity: 62.0459 cm^3
• Polarizability: 24.211893 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT