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Molecule
3,5-Dibromopyridine
CAS: 625-92-3 · C5H3Br2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 625-92-3
- Molecular Formula
- C5H3Br2N
- Molecular Mass
- 236.89 g/mol
Identifiers
CAS Registry Number
625-92-3
SMILES
Brc1cncc(Br)c1
InChI Key
SOSPMXMEOFGPIM-UHFFFAOYSA-N
InChI
InChI=1S/C5H3Br2N/c6-4-1-5(7)3-8-2-4/h1-3H
Names and Synonyms
- 3,5-Dibromopyridine Synonym
- Pyridine, 3,5-dibromo- Synonym
- 3,5-Dibromopyridine Synonym
- NSC 6209 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 236.89 g/mol | CAS Common Chemistry |
| 236.894 g/mol | RDKit | |
| Boiling Point | 222 °C | CAS Common Chemistry |
| Canonical SMILES | BrC1=CN=CC(Br)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H3Br2N/c6-4-1-5(7)3-8-2-4/h1-3H | CAS Common Chemistry |
| InChI Key | InChIKey=SOSPMXMEOFGPIM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 112 °C | CAS Common Chemistry |
| Name | 3,5-Dibromopyridine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| 12.36 Ų | chempirical lib | |
| LogP | 2.6066000000000003 | RDKit |
| 2.6066 | RDKit | |
| Molar Refractivity | 39.63700000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 234.863223296 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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.
External Resources
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MW = 236.89 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H3Br2N.
