6-[2-(trimethylsilyl)ethynyl]-2H,3H,4H-pyrano[2,3-b]pyridine

• ChemBase ID: 65505
• Molecular Formular: C13H17NOSi
• Molecular Mass: 231.36568
• Monoisotopic Mass: 231.1079407
• SMILES: c1(cnc2c(c1)CCCO2)C#C[Si](C)(C)C
• Canonical SMILES: C[Si](C#Cc1cnc2c(c1)CCCO2)(C)C
• InChI: InChI=1S/C13H17NOSi/c1-16(2,3)8-6-11-9-12-5-4-7-15-13(12)14-10-11/h9-10H,4-5,7H2,1-3H3
• InChIKey: ARFBUIUTXLKOMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(trimethylsilyl)ethynyl]-2H,3H,4H-pyrano[2,3-b]pyridine
• IUPAC Traditional name: 6-[2-(trimethylsilyl)ethynyl]-2H,3H,4H-pyrano[2,3-b]pyridine
• Synonyms: 6-((Trimethylsilyl)ethynyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

Database IDs

• MDL Number: MFCD20487105
• PubChem SID: 162031244
• PubChem CID: 71299031

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5575037
• LogD (pH = 7.4): 3.5577962
• Log P: 3.5578
• Molar Refractivity: 58.825 cm^3
• Polarizability: 25.86109 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false