5-ethynylpyridin-2-ol

• ChemBase ID: 813957
• Molecular Formular: C7H5NO
• Molecular Mass: 119.1207
• Monoisotopic Mass: 119.03711379
• SMILES: n1c(ccc(c1)C#C)O
• Canonical SMILES: C#Cc1ccc(nc1)O
• InChI: InChI=1S/C7H5NO/c1-2-6-3-4-7(9)8-5-6/h1,3-5H,(H,8,9)
• InChIKey: LTZKNJCKOOCPBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethynylpyridin-2-ol
• IUPAC Traditional name: 5-ethynylpyridin-2-ol
• Synonyms: 5-ethynylpyridin-2-ol

Database IDs

• CAS Number: 1196156-05-4

CALCULATED PROPERTIES

• Acid pKa: 11.486605
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1972717
• LogD (pH = 7.4): 1.1972654
• Log P: 1.1973009
• Molar Refractivity: 31.3678 cm^3
• Polarizability: 12.611685 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%