2-chloro-5-[2-(trimethylsilyl)ethynyl]pyridin-4-amine

• ChemBase ID: 61576
• Molecular Formular: C10H13ClN2Si
• Molecular Mass: 224.76212
• Monoisotopic Mass: 224.05365264
• SMILES: C(#C[Si](C)(C)C)c1c(cc(nc1)Cl)N
• Canonical SMILES: Nc1cc(Cl)ncc1C#C[Si](C)(C)C
• InChI: InChI=1S/C10H13ClN2Si/c1-14(2,3)5-4-8-7-13-10(11)6-9(8)12/h6-7H,1-3H3,(H2,12,13)
• InChIKey: VZWKKHJDJCQARS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-[2-(trimethylsilyl)ethynyl]pyridin-4-amine
• IUPAC Traditional name: 2-chloro-5-[2-(trimethylsilyl)ethynyl]pyridin-4-amine
• Synonyms: 2-Chloro-5-[2-(trimethylsilyl)ethynyl]pyridin-4-amine

Database IDs

• MDL Number: MFCD19686133
• PubChem SID: 162027317
• PubChem CID: 56773838

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8247182
• LogD (pH = 7.4): 2.839212
• Log P: 2.8394
• Molar Refractivity: 54.7042 cm^3
• Polarizability: 23.530697 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 108 - 109 °C; 108-109°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%