6-bromopyridin-2-ol

• ChemBase ID: 70911
• Molecular Formular: C5H4BrNO
• Molecular Mass: 173.99536
• Monoisotopic Mass: 172.94762575
• SMILES: c1(cccc(n1)O)Br
• Canonical SMILES: Oc1cccc(n1)Br
• InChI: InChI=1S/C5H4BrNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)
• InChIKey: VOMMPWVMVDGZEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromopyridin-2-ol
• IUPAC Traditional name: 6-bromopyridin-2-ol
• Synonyms: 2-Bromo-6-hydroxypyridine

Database IDs

• CAS Number: 27992-32-1
• MDL Number: MFCD00234043
• PubChem SID: 162036619
• PubChem CID: 820497

CALCULATED PROPERTIES

• Acid pKa: 10.610158
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.020737
• LogD (pH = 7.4): 2.0204759
• Log P: 2.0207403
• Molar Refractivity: 34.6605 cm^3
• Polarizability: 13.046575 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%