(3,5-dichloropyridin-2-yl)methanol

• ChemBase ID: 291865
• Molecular Formular: C6H5Cl2NO
• Molecular Mass: 178.016
• Monoisotopic Mass: 176.97481915
• SMILES: OCc1ncc(Cl)cc1Cl
• Canonical SMILES: OCc1ncc(cc1Cl)Cl
• InChI: InChI=1S/C6H5Cl2NO/c7-4-1-5(8)6(3-10)9-2-4/h1-2,10H,3H2
• InChIKey: UJLNNNMWIMJFIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,5-dichloropyridin-2-yl)methanol
• IUPAC Traditional name: (3,5-dichloropyridin-2-yl)methanol
• Synonyms: (3,5-Dichloropyridin-2-yl)methanol

Database IDs

• CAS Number: 275383-87-4
• PubChem SID: 180677396
• PubChem CID: 17750383

CALCULATED PROPERTIES

• Acid pKa: 13.9284
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2777693
• LogD (pH = 7.4): 1.2777846
• Log P: 1.2777848
• Molar Refractivity: 39.8044 cm^3
• Polarizability: 15.769387 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%