7-chloro-8-(trimethylsilyl)-2H,3H-[1,4]dioxino[2,3-b]pyridine

• ChemBase ID: 65529
• Molecular Formular: C10H14ClNO2Si
• Molecular Mass: 243.76216
• Monoisotopic Mass: 243.04823291
• SMILES: c1(cnc2c(c1[Si](C)(C)C)OCCO2)Cl
• Canonical SMILES: Clc1cnc2c(c1[Si](C)(C)C)OCCO2
• InChI: InChI=1S/C10H14ClNO2Si/c1-15(2,3)9-7(11)6-12-10-8(9)13-4-5-14-10/h6H,4-5H2,1-3H3
• InChIKey: QLBAIHABKWUNLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-8-(trimethylsilyl)-2H,3H-[1,4]dioxino[2,3-b]pyridine
• IUPAC Traditional name: 7-chloro-8-(trimethylsilyl)-2H,3H-[1,4]dioxino[2,3-b]pyridine
• Synonyms: 7-Chloro-8-(trimethylsilyl)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

Database IDs

• MDL Number: MFCD20487084
• PubChem SID: 162031268
• PubChem CID: 71299054

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8526921
• LogD (pH = 7.4): 2.8527
• Log P: 2.8527
• Molar Refractivity: 56.0404 cm^3
• Polarizability: 24.128468 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false