Mol Weight - 184.198
Smiles - O=Cc1cc(-c2ncccc2)ncc1
| Property Name | Property Value |
| Mol Name | 2,2-bipyridine-4-carbaldehyde |
| Molweight | 184.198 |
| Monoisotopic Mass | 184.063663 |
| Clogp | 1.4323 |
| Clogs | -1.82 |
| H Acceptors | 3 |
| Total Surface Area | 150.08 |
| Relative Psa | 0.23308 |
| Polar Surface Area | 42.85 |
| Druglikeness | -3.8813 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.64286 |
| Molecular Flexibility | 0.39661 |
| Molecular Complexity | 0.67279 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Aromatic Nitrogens | 2 |
| Smiles | O=Cc1cc(-c2ncccc2)ncc1 |
| InChIKey | InChI=1S/C11H8N2O/c14-8-9-4-6-13-11(7-9)10-3-1-2-5-12-10/h1-8H |
| InChI | YSZFRHYUHKSZTO-UHFFFAOYSA-N |
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1 — 2,2-bipyridine-4-carbaldehyde | 2 — 2,2-bipyridine-4-carbaldehyde