2-chloro-6-(trifluoromethyl)-3-(trimethylsilyl)pyridine

• ChemBase ID: 64311
• Molecular Formular: C9H11ClF3NSi
• Molecular Mass: 253.7240496
• Monoisotopic Mass: 253.03013823
• SMILES: n1c(c(ccc1C(F)(F)F)[Si](C)(C)C)Cl
• Canonical SMILES: Clc1nc(ccc1[Si](C)(C)C)C(F)(F)F
• InChI: InChI=1S/C9H11ClF3NSi/c1-15(2,3)6-4-5-7(9(11,12)13)14-8(6)10/h4-5H,1-3H3
• InChIKey: HQEZYGMWAMEGPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(trifluoromethyl)-3-(trimethylsilyl)pyridine
• IUPAC Traditional name: 2-chloro-6-(trifluoromethyl)-3-(trimethylsilyl)pyridine
• Synonyms: 2-Chloro-6-trifluoromethyl-3-(trimethylsilyl)pyridine; 2-Chloro-6-(trifluoromethyl)-3-(trimethylsilyl)pyridine

Database IDs

• CAS Number: 205444-18-4
• MDL Number: MFCD09763705
• PubChem SID: 162030050
• PubChem CID: 11032410

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4899
• LogD (pH = 7.4): 4.4899
• Log P: 4.4899
• Molar Refractivity: 51.4325 cm^3
• Polarizability: 21.053143 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%