2-bromo-6-methylpyridin-3-ol

• ChemBase ID: 89558
• Molecular Formular: C6H6BrNO
• Molecular Mass: 188.02194
• Monoisotopic Mass: 186.96327582
• SMILES: n1c(c(ccc1C)O)Br
• Canonical SMILES: Cc1ccc(c(n1)Br)O
• InChI: InChI=1S/C6H6BrNO/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3
• InChIKey: UHMANLXCLQNQJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-methylpyridin-3-ol
• IUPAC Traditional name: 2-bromo-6-methylpyridin-3-ol
• Synonyms: 2-BROMO-6-METHYLPYRIDIN-3-OL; 2-Bromo-6-methylpyridin-3-ol; 6-Bromo-5-hydroxy-2-picoline; 2-Bromo-3-hydroxy-6-methylpyridine

Database IDs

• CAS Number: 23003-35-2
• MDL Number: MFCD06655956
• PubChem SID: 162076435
• PubChem CID: 11959101

CALCULATED PROPERTIES

• Acid pKa: 7.7663994
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5551138
• LogD (pH = 7.4): 1.4059386
• Log P: 1.5576528
• Molar Refractivity: 38.9385 cm^3
• Polarizability: 14.775637 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/Light Sensitive/Store under Argon

Product Information

• Purity: 95+%; 98%