6-chloro-2-(trimethylsilyl)furo[3,2-b]pyridine

• ChemBase ID: 44982
• Molecular Formular: C10H12ClNOSi
• Molecular Mass: 225.74688
• Monoisotopic Mass: 225.03766822
• SMILES: c1(cnc2c(c1)oc(c2)[Si](C)(C)C)Cl
• Canonical SMILES: Clc1cnc2c(c1)oc(c2)[Si](C)(C)C
• InChI: InChI=1S/C10H12ClNOSi/c1-14(2,3)10-5-8-9(13-10)4-7(11)6-12-8/h4-6H,1-3H3
• InChIKey: WUQLUIMCZRXJGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-(trimethylsilyl)furo[3,2-b]pyridine
• IUPAC Traditional name: 6-chloro-2-(trimethylsilyl)furo[3,2-b]pyridine
• Synonyms: 6-Chloro-2-(trimethylsilyl)furo[3,2-b]pyridine; 6-Chloro-2-(trimethylsilyl)furo[3,2-b]pyridine

Database IDs

• CAS Number: 1186310-77-9
• MDL Number: MFCD12922807
• PubChem SID: 162049745
• PubChem CID: 46737947

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4578795
• LogD (pH = 7.4): 3.4578998
• Log P: 3.4579
• Molar Refractivity: 52.4919 cm^3
• Polarizability: 24.154577 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C10H12ClNOSi

DETAILS

Sigma Aldrich - ADE001189

Other Notes
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