6-(tributylstannyl)pyridine-3-carbaldehyde

• ChemBase ID: 77667
• Molecular Formular: C18H31NOSn
• Molecular Mass: 396.14584
• Monoisotopic Mass: 397.14275862
• SMILES: n1c(ccc(c1)C=O)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(cn1)C=O)(CCCC)CCCC
• InChI: InChI=1S/C6H4NO.3C4H9.Sn/c8-5-6-2-1-3-7-4-6;3*1-3-4-2;/h1-2,4-5H;3*1,3-4H2,2H3
• InChIKey: ZXOSVNOBBUUDNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(tributylstannyl)pyridine-3-carbaldehyde
• IUPAC Traditional name: 6-(tributylstannyl)pyridine-3-carbaldehyde
• Synonyms: 2-(Tributylstannyl)pyridine-5-carboxaldehyde; 6-(Tributylstannyl)nicotinaldehyde

Database IDs

• MDL Number: MFCD09265480
• PubChem SID: 162042539
• PubChem CID: 16427121

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.082851
• LogD (pH = 7.4): 4.191516
• Log P: 4.1931
• Molar Refractivity: 88.6306 cm^3
• Polarizability: 38.76398 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic