Q72485276
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| Name | 6-(hydroxymethyl)pyridin-3-ol |
| Wikidata | Q72485276 |
| Mol. formula | C6H7NO2 |
| CAS registry number | - |
| Mol. weight | 125.1255 |
Representations
| Temporary LOTUS id | LTS0136498 |
| Name | 6-(hydroxymethyl)pyridin-3-ol |
| Canonical SMILES | OCc1ccc(O)cn1 |
| 2D SMILES | OCc1ccc(O)cn1 |
| IUPAC name | 6-(hydroxymethyl)pyridin-3-ol |
| InChI | InChI=1S/C6H7NO2/c8-4-5-1-2-6(9)3-7-5/h1-3,8-9H,4H2 |
| InChIKey | NESFDGDRYVANBC-UHFFFAOYSA-N |
| Deep SMILES | could not be computed |
| Murcko Framework | n1ccccc1 |
Organism taxonomy
Chemical ontology
| Pathway | Superclass | Class |
| Alkaloids | Nicotinic acid alkaloids | Pyridine alkaloids |
Molecular Properties
| Total atom number | 16 |
| Heavy atom number | 9 |
| Bond count | 9 |
| Number of carbons | 6 |
| Minimal number of rings | 1 |
| Maximal number of rings | 1 |
Molecular Descriptors
| NP-likeness score | 1 |
| Alogp | 0.24 |
| Alogp2 | 0.06 |
| Apol | 17.9316 |
| Bpol | 8.9724 |
| EccentricConnectivityIndexDescriptor | 77 |
| FmfDescriptor | 0.6667 |
| Fsp3 | 0.1667 |
| FragmentComplexityDescriptor | 184.03 |
| PetitjeanNumber | 0.5 |
| LipinskiRuleOf5Failures | 0 |
| WienerPathNumber | 90 |
| Xlogp | -0.358 |
| ZagrebIndex | 40 |
| TopoPSA | 53.35 |
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