T5Y
pyridin-2-ol
Created: | 2020-03-16 |
Last modified: | 2020-03-25 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 12 |
Chiral Atom Count | 0 |
Bond Count | 12 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | pyridin-2-ol |
Systematic Name (OpenEye OEToolkits) | pyridin-2-ol |
Formula | C5 H5 N O |
Molecular Weight | 95.099 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1nc(O)ccc1 |
SMILES | CACTVS | 3.385 | Oc1ccccn1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)O |
Canonical SMILES | CACTVS | 3.385 | Oc1ccccn1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)O |
InChI | InChI | 1.03 | InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7) |
InChIKey | InChI | 1.03 | UBQKCCHYAOITMY-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 5280522, 8871 |
ChEMBL | CHEMBL662 |
ChEBI | CHEBI:16540 |
CCDC/CSD | HITLII |