Mol Weight - 186.008
Smiles - O=Cc1cccc(Br)n1
InChI - QWFHFNGMCPMOCD-UHFFFAOYSA-N
InChIKey - InChI=1S/C6H4BrNO/c7-6-3-1-2-5(4-9)8-6/h1-4H
| Property Name | Property Value |
| Mol Name | 6-Bromopyridine-2-carbaldehyde |
| Molweight | 186.008 |
| Monoisotopic Mass | 184.947625 |
| Clogp | 1.4686 |
| Clogs | -1.766 |
| H Acceptors | 2 |
| Total Surface Area | 110.19 |
| Relative Psa | 0.2179 |
| Polar Surface Area | 29.96 |
| Druglikeness | -5.6713 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.33178 |
| Molecular Complexity | 0.72259 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Aromatic Nitrogens | 1 |
| Smiles | O=Cc1cccc(Br)n1 |
| InChIKey | InChI=1S/C6H4BrNO/c7-6-3-1-2-5(4-9)8-6/h1-4H |
| InChI | QWFHFNGMCPMOCD-UHFFFAOYSA-N |
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1 — 6-Bromopyridine-2-carbaldehyde | 2 — 6-Bromopyridine-2-carbaldehyde