Back to Search
Molecule
2-Amino-5-Bromopyridine
CAS: 1072-97-5 · C5H5BrN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1072-97-5
- Molecular Formula
- C5H5BrN2
- Molecular Mass
- 173.01 g/mol
Identifiers
CAS Registry Number
1072-97-5
SMILES
N=c1ccc(Br)c[nH]1
InChI Key
WGOLHUGPTDEKCF-UHFFFAOYSA-N
InChI
InChI=1S/C5H5BrN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)
Names and Synonyms
- 2-Amino-5-Bromopyridine Systematic Name
- 2-Pyridinamine, 5-bromo- Synonym
- Pyridine, 2-amino-5-bromo- Synonym
- 5-Bromo-2-pyridinamine Synonym
- 5-Bromo-2-aminopyridine Synonym
- 2-Amino-5-bromopyridine Synonym
- 5-Bromopyridin-2-ylamine Synonym
- NSC 26282 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.01 g/mol | CAS Common Chemistry |
| 173.013 g/mol | RDKit | |
| Canonical SMILES | BrC1=CN=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H5BrN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=WGOLHUGPTDEKCF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 137 °C | CAS Common Chemistry |
| Name | 2-Amino-5-bromopyridine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 39.64 Ų | RDKit |
| LogP | 1.25667 | RDKit |
| 1.2567 | RDKit | |
| Molar Refractivity | 34.3474 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 171.96361026 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 173.01 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H5BrN2.
