2-(4-methylpyridin-3-yl)oxybenzene-1,4-diol
CNP0105468.0 · C12H11NO3 · View on COCONUT ↗
Identifiers
| Name | 2-(4-methylpyridin-3-yl)oxybenzene-1,4-diol |
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| IUPAC Name | 2-[(4-methyl-3-pyridyl)oxy]benzene-1,4-diol |
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| COCONUT ID | CNP0105468.0 |
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| InChIKey | NJPWIKVAYDDPNC-UHFFFAOYSA-N |
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| InChI | InChI=1S/C12H11NO3/c1-8-4-5-13-7-12(8)16-11-6-9(14)2-3-10(11)15/h2-7,14-15H,1H3 |
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| SMILES | CC1=CC=NC=C1OC1=CC(O)=CC=C1O |
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Properties
| Molecular Formula | C12H11NO3 |
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| Molecular Weight | 217.22 |
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| Exact Mass | 217.07389 |
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| Log P (ALogP) | 2.59 |
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| TPSA | 62.58 |
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| H-Bond Donors / Acceptors | 2 / 4 |
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| Rotatable Bonds | 2 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.76 |
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| NP-likeness | 0.47 |
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Classification
| NP Pathway | Alkaloids |
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| NP Superclass | Nicotinic acid alkaloids |
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| NP Class | Pyridine alkaloids |
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| Chemical Superclass | Organic oxygen compounds |
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| Chemical Class | Organooxygen compounds |
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| Chemical Subclass | Ethers |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
