6-chloropyridin-3-ol

• ChemBase ID: 13679
• Molecular Formular: C5H4ClNO
• Molecular Mass: 129.54436
• Monoisotopic Mass: 128.99814143
• SMILES: c1(cnc(cc1)Cl)O
• Canonical SMILES: Clc1ccc(cn1)O
• InChI: InChI=1S/C5H4ClNO/c6-5-2-1-4(8)3-7-5/h1-3,8H
• InChIKey: KVCOOWROABTXDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloropyridin-3-ol
• IUPAC Traditional name: 6-chloropyridin-3-ol
• Synonyms: 2-Chloro-5-hydroxypyridine; 2-Chloropyridin-5-ol; 6-Chloropyridin-3-ol; 2-Chloro-5-hydroxypyridine 98+%; 2-Chloro-5-hydroxypyridine; 6-chloropyridin-3-ol; 2-氯-5-羟基吡啶

Database IDs

• CAS Number: 41288-96-4
• MDL Number: MFCD00234050
• PubChem SID: 160976986
• PubChem CID: 819821

CALCULATED PROPERTIES

• Acid pKa: 8.28264
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2755127
• LogD (pH = 7.4): 1.2238209
• Log P: 1.27623
• Molar Refractivity: 31.7481 cm^3
• Polarizability: 12.005181 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C; 152-158°C; 152-158°C; 158-160°C
• Hydrophobicity(logP): 1.774

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• 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: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 97%; 98%