2-chloropyridin-4-ol

• ChemBase ID: 67634
• Molecular Formular: C5H4ClNO
• Molecular Mass: 129.54436
• Monoisotopic Mass: 128.99814143
• SMILES: c1(cc(ccn1)O)Cl
• Canonical SMILES: Oc1ccnc(c1)Cl
• InChI: InChI=1S/C5H4ClNO/c6-5-3-4(8)1-2-7-5/h1-3H,(H,7,8)
• InChIKey: VBEHFOMFHUQAOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloropyridin-4-ol
• IUPAC Traditional name: 2-chloropyridin-4-ol
• Synonyms: 2-Chloro-4-hydroxypyridine; 2-Chloropyridin-4-ol; 2-chloropyridin-4-ol; 2-Chloro-4-pyridinol; 2-Chloro-4(1H)-pyridone; 2-Chloro-4-hydroxypyridine; 2-氯-4-羟基吡啶

Database IDs

• CAS Number: 17228-67-0; 17368-12-6
• EC Number: 241-399-3
• MDL Number: MFCD01646108; MFCD00955631
• PubChem SID: 162033369
• PubChem CID: 87010

CALCULATED PROPERTIES

• Acid pKa: 9.411067
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2761755
• LogD (pH = 7.4): 1.2720944
• Log P: 1.27623
• Molar Refractivity: 31.7481 cm^3
• Polarizability: 12.011057 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 166 - 168°C; 169-172°C; 170-172°C
• Hydrophobicity(logP): 1.774

Safety Information

• Storage Warning: IRRITANT; 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: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 95+%; 98%