Mol Weight - 217.065
Smiles - CC(NN(CC=C1)C=C1Br)=O
| Property Name | Property Value |
| Mol Name | N-Acetylamino-5-Bromopyridine |
| Molweight | 217.065 |
| Monoisotopic Mass | 215.989824 |
| Clogp | -0.3649 |
| Clogs | -1.968 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 135.37 |
| Relative Psa | 0.20721 |
| Polar Surface Area | 32.34 |
| Druglikeness | -2.6361 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.63636 |
| Molecular Flexibility | 0.41747 |
| Molecular Complexity | 0.6868 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 3 |
| Smiles | CC(NN(CC=C1)C=C1Br)=O |
| InChIKey | InChI=1S/C7H9BrN2O/c1-6(11)9-10-4-2-3-7(8)5-10/h2-3,5H,4H2,1H3,(H,9,11) |
| InChI | JSQMVNWKHYQJHP-UHFFFAOYSA-N |
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1 — N-Acetylamino-5-Bromopyridine | 2 — N-Acetylamino-5-Bromopyridine