4-Methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
PubChem CID: 440344
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| Compound Synonyms | 4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid, 3-Carboxy-4-methoxy-N-methyl-2-pyridone, 4-methoxy-1-methyl-2-oxopyridine-3-carboxylic acid, C04447, CHEBI:17693, Q27102536 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-1-methyl-2-oxopyridine-3-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C8H9NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RYHGOZKWYMCMKG-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -0.921 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.656 |
| Compound Name | 4-Methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 183.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 183.053 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 183.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1679490615384616 |
| Inchi | InChI=1S/C8H9NO4/c1-9-4-3-5(13-2)6(7(9)10)8(11)12/h3-4H,1-2H3,(H,11,12) |
| Smiles | CN1C=CC(=C(C1=O)C(=O)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ricinus Communis (Plant) Rel Props:Source_db:cmaup_ingredients