3-bromo-1H-pyrrolo[2,3-b]pyridine
Formula:C7H5N2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-1H-pyrrolo[2,3-b]pyridine is a drug-like molecule.
| MolName | 3-bromo-1H-pyrrolo[2,3-b]pyridine |
| MolecularFormula | C7H5N2Br |
| Smiles | Brc1c[nH]c2c1cccn2 |
| InChI | InChI=1S/C7H5BrN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10) |
| InChIK | VJDGIJDCXIEXPF-UHFFFAOYSA-N |
| TotalMolweight | 197.035 |
| Molweight | 197.035 |
| MonoisotopicMass | 195.963609 |
| CLogP | 1.7062 |
| CLogS | -3.025 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 114.82 |
| Relative PSA | 0.21738 |
| PolarSurfaceArea | 28.68 |
| Druglikeness | -5.9131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-bromo-1H-pyrrolo[2,3-b]pyridine | 2 - 3-bromo-1H-pyrrolo[2,3-b]pyridine
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