Mol Weight - 200.035
Smiles - O=C(CBr)c1cnccc1.Br
| Property Name | Property Value |
| Mol Name | 3-(2-Bromoacetyl)pyridine Hydrobromide |
| Molweight | 200.035 |
| Monoisotopic Mass | 198.963275 |
| Clogp | 0.8902 |
| Clogs | -2.048 |
| H Acceptors | 2 |
| Total Surface Area | 122.16 |
| Relative Psa | 0.19655 |
| Polar Surface Area | 29.96 |
| Druglikeness | -8.3351 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.7 |
| Molecular Flexibility | 0.41828 |
| Molecular Complexity | 0.65162 |
| Fragments | 2 |
| Non H Atoms | 10 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 1 |
| Smiles | O=C(CBr)c1cnccc1.Br |
| InChIKey | InChI=1S/C7H6BrNO.BrH/c8-4-7(10)6-2-1-3-9-5-6;/h1-3,5H,4H2;1H |
| InChI | WDTSYONULAZKIE-UHFFFAOYSA-N |
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1 — 3-(2-Bromoacetyl)pyridine Hydrobromide | 2 — 3-(2-Bromoacetyl)pyridine Hydrobromide