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Molecule
2-Methyl-6-(Tributylstannyl)Pyridine
CAS: 259807-95-9 · C18H33NSn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 259807-95-9
- Molecular Formula
- C18H33NSn
- Molecular Mass
- 382.18 g/mol
Identifiers
CAS Registry Number
259807-95-9
SMILES
Cc1ccc[c]n1.[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn]
InChI Key
USKQYZHWJZDNCM-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N.3C4H9.Sn/c1-6-4-2-3-5-7-6;3*1-3-4-2;/h2-4H,1H3;3*1,3-4H2,2H3;
Names and Synonyms
- 2-Methyl-6-(Tributylstannyl)Pyridine Synonym
- Pyridine, 2-methyl-6-(tributylstannyl)- Synonym
- 2-Methyl-6-(tributylstannyl)pyridine Synonym
- 6-Methylpyridin-2-yltributylstannane Synonym
- 6-Methyl-2-(tributylstannyl)pyridine Synonym
- 2-Methyl-6-(tributylstannanyl)pyridine Synonym
- 2-(Tributylstannyl)-6-methylpyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 382.18 g/mol | CAS Common Chemistry |
| 383.163494756 g/mol | RDKit | |
| 385.203 g/mol | chempirical lib | |
| Canonical SMILES | N=1C(=CC=CC1[Sn](CCCC)(CCCC)CCCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H6N.3C4H9.Sn/c1-6-4-2-3-5-7-6;3*1-3-4-2;/h2-4H,1H3;3*1,3-4H2,2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=USKQYZHWJZDNCM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Methyl-6-(tributylstannyl)pyridine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| 12.36 Ų | chempirical lib | |
| LogP | 5.671180000000006 | RDKit |
| 5.6712 | RDKit | |
| Molar Refractivity | 94.35900000000007 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5556 | RDKit |
| Exact Mass | 382.17999999999995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 382.18 g/mol. Edit any field — others recompute live.
