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

• ChemBase ID: 32444
• Molecular Formular: C10H13ClN2Si
• Molecular Mass: 224.76212
• Monoisotopic Mass: 224.05365264
• SMILES: C(#C[Si](C)(C)C)c1c(ncc(c1)Cl)N
• Canonical SMILES: Nc1ncc(cc1C#C[Si](C)(C)C)Cl
• InChI: InChI=1S/C10H13ClN2Si/c1-14(2,3)5-4-8-6-9(11)7-13-10(8)12/h6-7H,1-3H3,(H2,12,13)
• InChIKey: ZZSDHUMNIBZFFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-3-[2-(trimethylsilyl)ethynyl]pyridin-2-amine
• IUPAC Traditional name: 5-chloro-3-[2-(trimethylsilyl)ethynyl]pyridin-2-amine
• Synonyms: 5-Chloro-3-((trimethylsilyl)ethynyl)pyridin-2-amine; 5-Chloro-3-[2-(trimethylsilyl)ethynyl]-2-pyridinamine; 5-Chloro-3-((trimethylsilyl)ethynyl)pyridin-2-amine

Database IDs

• CAS Number: 866318-90-3
• MDL Number: MFCD09880016
• PubChem SID: 160995751
• PubChem CID: 24729465

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1554394
• LogD (pH = 7.4): 3.1671486
• Log P: 3.1673
• Molar Refractivity: 53.9564 cm^3
• Polarizability: 23.480183 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110 - 113 °C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 97%
• Empirical Formula (Hill Notation): C10H13ClN2Si

DETAILS

Sigma Aldrich - ADE000447

Other Notes
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