ZUC
3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide
Created: | 2023-07-05 |
Last modified: | 2023-07-26 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 29 |
Chiral Atom Count | 0 |
Bond Count | 30 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide |
Systematic Name (OpenEye OEToolkits) | 3-fluoranyl-~{N}-(2-methyl-6-oxidanyl-phenyl)pyridine-4-carboxamide |
Formula | C13 H11 F N2 O2 |
Molecular Weight | 246.237 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1c(C)cccc1O)c1ccncc1F |
SMILES | CACTVS | 3.385 | Cc1cccc(O)c1NC(=O)c2ccncc2F |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1NC(=O)c2ccncc2F)O |
Canonical SMILES | CACTVS | 3.385 | Cc1cccc(O)c1NC(=O)c2ccncc2F |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1NC(=O)c2ccncc2F)O |
InChI | InChI | 1.06 | InChI=1S/C13H11FN2O2/c1-8-3-2-4-11(17)12(8)16-13(18)9-5-6-15-7-10(9)14/h2-7,17H,1H3,(H,16,18) |
InChIKey | InChI | 1.06 | PDGRBWXZTBUJKY-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 86783942 |