6-bromopyridin-3-ol

• ChemBase ID: 16355
• Molecular Formular: C5H4BrNO
• Molecular Mass: 173.99536
• Monoisotopic Mass: 172.94762575
• SMILES: c1(cnc(cc1)Br)O
• Canonical SMILES: Brc1ccc(cn1)O
• InChI: InChI=1S/C5H4BrNO/c6-5-2-1-4(8)3-7-5/h1-3,8H
• InChIKey: PTEFNEALEPSHLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromopyridin-3-ol
• IUPAC Traditional name: 6-bromopyridin-3-ol
• Synonyms: 6-Bromo-3-pyridinol; 2-Bromo-5-hydroxypyridine; 6-Bromopyridin-3-ol; 2-Bromo-5-hydroxypyridine 98%; 6-bromopyridin-3-ol; 2-Bromo-5-hydroxypyridine; 2-溴-5-羟吡啶

Database IDs

• CAS Number: 55717-40-3; 55717-45-8
• MDL Number: MFCD04114184
• PubChem SID: 160979662
• PubChem CID: 2762865

CALCULATED PROPERTIES

• Acid pKa: 8.23305
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4254467
• LogD (pH = 7.4): 1.3679678
• Log P: 1.4262828
• Molar Refractivity: 34.347 cm^3
• Polarizability: 13.043967 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133-136°C; 135.5-136.5°C
• Hydrophobicity(logP): 1.924

Safety Information

• Storage Warning: Harmful/Irritant/Very Hygroscopic/Store under Argon; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 95%; 97%; 98%