2-chloro-3-[2-(trimethylsilyl)ethynyl]pyridin-4-amine

• ChemBase ID: 32534
• Molecular Formular: C10H13ClN2Si
• Molecular Mass: 224.76212
• Monoisotopic Mass: 224.05365264
• SMILES: c1cnc(c(c1N)C#C[Si](C)(C)C)Cl
• Canonical SMILES: Nc1ccnc(c1C#C[Si](C)(C)C)Cl
• InChI: InChI=1S/C10H13ClN2Si/c1-14(2,3)7-5-8-9(12)4-6-13-10(8)11/h4,6H,1-3H3,(H2,12,13)
• InChIKey: XCPLDMMZZOBCFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-[2-(trimethylsilyl)ethynyl]pyridin-4-amine
• IUPAC Traditional name: 2-chloro-3-[2-(trimethylsilyl)ethynyl]pyridin-4-amine
• Synonyms: 2-Chloro-3-((trimethylsilyl)ethynyl)pyridin-4-amine; 2-Chloro-3-((trimethylsilyl)ethynyl)pyridin-4-amine

Database IDs

• CAS Number: 1138444-10-6
• MDL Number: MFCD11857680
• PubChem SID: 160995841
• PubChem CID: 46736775

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8104415
• LogD (pH = 7.4): 2.8390229
• Log P: 2.8394
• Molar Refractivity: 54.7042 cm^3
• Polarizability: 23.545307 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): C10H13ClN2Si

DETAILS

Sigma Aldrich - ADE000543

Other Notes
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