5-methoxy-4-(trimethylsilyl)pyridine-3-carbonitrile

• ChemBase ID: 32535
• Molecular Formular: C10H14N2OSi
• Molecular Mass: 206.31646
• Monoisotopic Mass: 206.08753961
• SMILES: c1(cncc(c1[Si](C)(C)C)C#N)OC
• Canonical SMILES: COc1cncc(c1[Si](C)(C)C)C#N
• InChI: InChI=1S/C10H14N2OSi/c1-13-9-7-12-6-8(5-11)10(9)14(2,3)4/h6-7H,1-4H3
• InChIKey: ZCNLVKRBBKJZFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-4-(trimethylsilyl)pyridine-3-carbonitrile
• IUPAC Traditional name: 5-methoxy-4-(trimethylsilyl)pyridine-3-carbonitrile
• Synonyms: 5-Methoxy-4-(trimethylsilyl)nicotinonitrile; 5-Methoxy-4-(trimethylsilyl)nicotinonitrile

Database IDs

• CAS Number: 1138444-11-7
• MDL Number: MFCD11857681
• PubChem SID: 160995842
• PubChem CID: 46736776

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8815861
• LogD (pH = 7.4): 1.8815998
• Log P: 1.8816
• Molar Refractivity: 52.1495 cm^3
• Polarizability: 22.23904 Å^3
• Polar Surface Area: 45.91 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): C10H14N2OSi

DETAILS

Sigma Aldrich - ADE000544

Other Notes
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