Mol Weight - 188.024
Smiles - OCc1cccc(Br)n1
InChI - XDDGKNRSCDEWBR-UHFFFAOYSA-N
InChIKey - InChI=1S/C6H6BrNO/c7-6-3-1-2-5(4-9)8-6/h1-3,9H,4H2
| Property Name | Property Value |
| Mol Name | 2-Bromo-6-pyridinemethanol |
| Molweight | 188.024 |
| Monoisotopic Mass | 186.963275 |
| Clogp | 0.938 |
| Clogs | -1.326 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 110.76 |
| Relative Psa | 0.21732 |
| Polar Surface Area | 33.12 |
| Druglikeness | -3.6945 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.28257 |
| 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 |
| Sp3 Atoms | 2 |
| Aromatic Nitrogens | 1 |
| Smiles | OCc1cccc(Br)n1 |
| InChIKey | InChI=1S/C6H6BrNO/c7-6-3-1-2-5(4-9)8-6/h1-3,9H,4H2 |
| InChI | XDDGKNRSCDEWBR-UHFFFAOYSA-N |
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1 — 2-Bromo-6-pyridinemethanol | 2 — 2-Bromo-6-pyridinemethanol