2-[2-(trimethylsilyl)ethynyl]pyridin-3-amine

• ChemBase ID: 44884
• Molecular Formular: C10H14N2Si
• Molecular Mass: 190.31706
• Monoisotopic Mass: 190.09262499
• SMILES: c1cnc(c(c1)N)C#C[Si](C)(C)C
• Canonical SMILES: Nc1cccnc1C#C[Si](C)(C)C
• InChI: InChI=1S/C10H14N2Si/c1-13(2,3)8-6-10-9(11)5-4-7-12-10/h4-5,7H,11H2,1-3H3
• InChIKey: OUVCGGQBMJGLDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(trimethylsilyl)ethynyl]pyridin-3-amine
• IUPAC Traditional name: 2-[2-(trimethylsilyl)ethynyl]pyridin-3-amine
• Synonyms: 2-((Trimethylsilyl)ethynyl)pyridin-3-amine; 2-((Trimethylsilyl)ethynyl)pyridin-3-amine

Database IDs

• MDL Number: MFCD12922741
• PubChem SID: 162049647
• PubChem CID: 16756561

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3291698
• LogD (pH = 7.4): 2.3495338
• Log P: 2.3498
• Molar Refractivity: 48.4661 cm^3
• Polarizability: 21.608992 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H14N2Si

DETAILS

Sigma Aldrich - ADE000675

Other Notes
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