Chemical Name - 5-Bromo-3-Nitropyridine-2-Ol (2-Hydroxy-3-Nitro-5-Bromopyridine)
Mol Weight - 218.994
Smiles - [O-][N+](c1cc(Br)cnc1O)=O.[O-][N+](c1cc(Br)cnc1O)=O
Mol Weight - 218.994
Smiles - [O-][N+](c1cc(Br)cnc1O)=O.[O-][N+](c1cc(Br)cnc1O)=O
| Property Value | |
| Mol Name | 5-Bromo-3-Nitropyridine-2-Ol (2-Hydroxy-3-Nitro-5-Bromopyridine) |
| Molweight | 218.994 |
| Monoisotopic Mass | 217.932704 |
| Clogp | 0.2976 |
| Clogs | -2.344 |
| H Acceptors | 5 |
| H Donors | 1 |
| Total Surface Area | 120.67 |
| Relative Psa | 0.45156 |
| Polar Surface Area | 78.94 |
| Druglikeness | -8.9718 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.54545 |
| Molecular Flexibility | 0.35822 |
| Molecular Complexity | 0.76573 |
| Fragments | 2 |
| Non H Atoms | 11 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Aromatic Nitrogens | 1 |
| Basic Nitrogens | 1 |
| Acidic Oxygens | 1 |
| Smiles | [O-][N+](c1cc(Br)cnc1O)=O.[O-][N+](c1cc(Br)cnc1O)=O |
| InChIKey | InChI=1S/2C5H3BrN2O3/c2*6-3-1-4(8(10)11)5(9)7-2-3/h2*1-2H,(H,7,9) |
| InChI | JYWIYNJOQKXNDZ-UHFFFAOYSA-N |
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