4-(tributylstannyl)pyridine-3-carbaldehyde

• ChemBase ID: 10793
• Molecular Formular: C18H31NOSn
• Molecular Mass: 396.14584
• Monoisotopic Mass: 397.14275862
• SMILES: c1cncc(c1[Sn](CCCC)(CCCC)CCCC)C=O
• Canonical SMILES: CCCC[Sn](c1ccncc1C=O)(CCCC)CCCC
• InChI: InChI=1S/C6H4NO.3C4H9.Sn/c8-5-6-2-1-3-7-4-6;3*1-3-4-2;/h1,3-5H;3*1,3-4H2,2H3
• InChIKey: CQDQKSXEFDNNNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tributylstannyl)pyridine-3-carbaldehyde
• IUPAC Traditional name: 4-(tributylstannyl)pyridine-3-carbaldehyde
• Synonyms: 4-(Tributylstannyl)pyridine-3-carboxaldehyde; (3-Formylpyridin-4-yl)tributylstannane; 3-Formyl-4-(tributylstannyl)pyridine; 4-(Tributylstannyl)nicotinaldehyde; 4-Tributylstannanylpyridine-3-carboxaldehyde

Database IDs

• CAS Number: 160351-06-4
• MDL Number: MFCD03701689
• PubChem SID: 160974100
• PubChem CID: 3720216

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4828339
• LogD (pH = 7.4): 3.4943507
• Log P: 3.4945
• Molar Refractivity: 88.3171 cm^3
• Polarizability: 38.763554 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful/Irritant/Store under Argon
• TSCA Listed: false