3-(sodiooxy)pyridine

• ChemBase ID: 92022
• Molecular Formular: C5H4NNaO
• Molecular Mass: 117.08113
• Monoisotopic Mass: 117.01905803
• SMILES: n1cc(ccc1)O[Na]
• Canonical SMILES: [Na]Oc1cccnc1
• InChI: InChI=1S/C5H5NO.Na/c7-5-2-1-3-6-4-5;/h1-4,7H;/q;+1/p-1
• InChIKey: WHYQZPOBOBSAIS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(sodiooxy)pyridine
• IUPAC Traditional name: 3-(sodiooxy)pyridine
• Synonyms: 3-Hydroxypyridine, sodium salt

Database IDs

• CAS Number: 52536-09-1
• MDL Number: MFCD00078091
• PubChem SID: 162078720
• PubChem CID: 2723769

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.75934714
• Log P: 0.7615
• Molar Refractivity: 24.6676 cm^3
• Polarizability: 11.761908 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.62143135

PROPERTIES

Physical Property

• Melting Point: >300°C