2-chloro-6-methoxy-4-[2-(trimethylsilyl)ethynyl]pyridin-3-ol

• ChemBase ID: 45042
• Molecular Formular: C11H14ClNO2Si
• Molecular Mass: 255.77286
• Monoisotopic Mass: 255.04823291
• SMILES: C(#C[Si](C)(C)C)c1c(c(nc(c1)OC)Cl)O
• Canonical SMILES: COc1nc(Cl)c(c(c1)C#C[Si](C)(C)C)O
• InChI: InChI=1S/C11H14ClNO2Si/c1-15-9-7-8(5-6-16(2,3)4)10(14)11(12)13-9/h7,14H,1-4H3
• InChIKey: UVJDGLRCSIFECD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methoxy-4-[2-(trimethylsilyl)ethynyl]pyridin-3-ol
• IUPAC Traditional name: 2-chloro-6-methoxy-4-[2-(trimethylsilyl)ethynyl]pyridin-3-ol
• Synonyms: 2-Chloro-6-methoxy-4-[2-(trimethylsilyl)ethynyl]-3 -pyridinol; 2-Chloro-6-methoxy-4-[2-(trimethylsilyl)ethynyl]pyridin-3-ol; 2-Chloro-3-hydroxy-6-methoxy-4-[2-(trimethylsilyl)ethynyl]pyridine

Database IDs

• MDL Number: MFCD12827784
• PubChem SID: 162049805
• PubChem CID: 45933888

CALCULATED PROPERTIES

• Acid pKa: 7.52207
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.780183
• LogD (pH = 7.4): 3.5547976
• Log P: 3.7841
• Molar Refractivity: 58.7614 cm^3
• Polarizability: 25.582636 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96-98°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%