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

• ChemBase ID: 32447
• Molecular Formular: C10H13BrN2Si
• Molecular Mass: 269.21312
• Monoisotopic Mass: 268.00313696
• SMILES: c1(cnc(c(c1)C#C[Si](C)(C)C)N)Br
• Canonical SMILES: Nc1ncc(cc1C#C[Si](C)(C)C)Br
• InChI: InChI=1S/C10H13BrN2Si/c1-14(2,3)5-4-8-6-9(11)7-13-10(8)12/h6-7H,1-3H3,(H2,12,13)
• InChIKey: XWDKTCNJXFYEOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-[2-(trimethylsilyl)ethynyl]pyridin-2-amine
• IUPAC Traditional name: 5-bromo-3-[2-(trimethylsilyl)ethynyl]pyridin-2-amine
• Synonyms: 5-Bromo-3-((trimethylsilyl)ethynyl)pyridin-2-amine; 5-Bromo-3-((trimethylsilyl)ethynyl)pyridin-2-amine

Database IDs

• CAS Number: 905966-34-9
• MDL Number: MFCD11052839
• PubChem SID: 160995754
• PubChem CID: 16743805

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4215221
• LogD (pH = 7.4): 3.4408479
• Log P: 3.4411
• Molar Refractivity: 56.7744 cm^3
• Polarizability: 24.385414 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): C10H13BrN2Si

DETAILS

Sigma Aldrich - ADE000450

Other Notes
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