5-methoxy-2-(prop-2-yn-1-yl)pyridine

• ChemBase ID: 801830
• Molecular Formular: C9H9NO
• Molecular Mass: 147.17386
• Monoisotopic Mass: 147.06841391
• SMILES: n1c(ccc(c1)OC)CC#C
• Canonical SMILES: C#CCc1ccc(cn1)OC
• InChI: InChI=1S/C9H9NO/c1-3-4-8-5-6-9(11-2)7-10-8/h1,5-7H,4H2,2H3
• InChIKey: RPFUPFZYWCCKBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-(prop-2-yn-1-yl)pyridine
• IUPAC Traditional name: 5-methoxy-2-(prop-2-yn-1-yl)pyridine
• Synonyms: 5-METHOXY-2-PROP-2-YNYLPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0567964
• LogD (pH = 7.4): 1.0670891
• Log P: 1.067222
• Molar Refractivity: 42.6453 cm^3
• Polarizability: 16.370722 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%