N-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methylidene}hydroxylamine

• ChemBase ID: 44978
• Molecular Formular: C11H14N2O2Si
• Molecular Mass: 234.32656
• Monoisotopic Mass: 234.08245423
• SMILES: c1(cnc2c(c1)oc(c2)[Si](C)(C)C)/C=N/O
• Canonical SMILES: O/N=C/c1cnc2c(c1)oc(c2)[Si](C)(C)C
• InChI: InChI=1S/C11H14N2O2Si/c1-16(2,3)11-5-9-10(15-11)4-8(6-12-9)7-13-14/h4-7,14H,1-3H3/b13-7+
• InChIKey: CQNPYIXCRNPAEL-NTUHNPAUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methylidene}hydroxylamine; (E)-N-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methylidene}hydroxylamine
• IUPAC Traditional name: N-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methylidene}hydroxylamine; (E)-N-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methylidene}hydroxylamine
• Synonyms: 2-(Trimethylsilyl)furo[3,2-b]pyridine-6-carbaldehyde oxime; 2-(Trimethylsilyl)furo[3,2-b]pyridine-6-carbaldehyde oxime

Database IDs

• CAS Number: 1186405-19-5
• MDL Number: MFCD12922803
• PubChem SID: 162049741
• PubChem CID: 46737943

CALCULATED PROPERTIES

• Acid pKa: 9.5769615
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5762966
• LogD (pH = 7.4): 2.5738294
• Log P: 2.5767
• Molar Refractivity: 58.0928 cm^3
• Polarizability: 25.522686 Å^3
• Polar Surface Area: 58.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C11H14N2O2Si

DETAILS

Sigma Aldrich - ADE001183

Other Notes
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