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2-Amino-3,5-Dibromopyridine
CAS: 35486-42-1 | C5H4Br2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
35486-42-1
Molecular Formula:
C5H4Br2N2
Molecular Mass:
251.91 g/mol
Names and Synonyms:
2-Amino-3,5-Dibromopyridine
2-Pyridinamine, 3,5-dibromo-
Pyridine, 2-amino-3,5-dibromo-
3,5-Dibromo-2-pyridinamine
3,5-Dibromo-2-aminopyridine
2-Amino-3,5-dibromopyridine
NSC 170846
3-Bromo-5-bromo-6-aminopyridine
3,5-Dibromo-pyridin-2-ylamine
Identifiers:
SMILES:
Nc1ncc(Br)cc1Br
InChI:
InChI=1S/C5H4Br2N2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
Key Properties
Melting Point
105 °C @ Solvent: Ethanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 251.91 g/mol | CAS Common Chemistry |
| 251.909 g/mol | RDKit | |
| 249.874122328 g/mol | RDKit | |
| Canonical SMILES | BrC1=CN=C(N)C(Br)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H4Br2N2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=WJMJWMSWJSACSN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 105 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 2-Amino-3,5-dibromopyridine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.91 Ų | RDKit |
| LogP | 2.1888000000000005 | RDKit |
| Molar Refractivity | 44.0494 | RDKit |
