3-Pyridinecarbonitrile, 1,2-dihydro-4-methoxy-2-oxo-
PubChem CID: 2786702
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| Compound Synonyms | 21642-98-8, 4-Methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile, 4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile, 3-Cyano-2-hydroxy-4-methoxypyridine, N-Demethylricinine, 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile, 4-methoxy-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, 2-HYDROXY-4-METHOXYNICOTINONITRILE, 1,2-Dihydro-4-methoxy-2-oxo-3-pyridinecarbonitrile, 3-Cyano-4-methoxy-2-(1H)-pyridinone, 3-Pyridinecarbonitrile, 1,2-dihydro-4-methoxy-2-oxo-, 3-Cyano-4-methoxy-2-pyridone, 3-CYANO-4-METHOXY-2(1H)-PYRIDINONE, MFCD00975442, N-Demethylricinine-13C3, 1,2-dihydro-4-methoxy-2-oxopyridine-3-carbonitrile, DTXSID60176033, N-Demethyl Ricinine, SCHEMBL103159, CHEMBL350154, DTXCID8098524, 3-Cyano-4-methoxy-2-pyridinone, MWGIDWPSRDMIQN-UHFFFAOYSA-N, BCP04139, CS-D0769, CL0187, AKOS005070058, AKOS006280511, AKOS015961823, 3-Cyano-4-methoxy-2-(1H)-pyridione, AB43127, AC-1949, 3-Cyano-4-methoxyl-2-(1H)-pyridione, HY-65008, SY007475, DB-006415, C2925, 2K-028, A18451, EN300-116245, Z1741973389, 1,2-Dihydro-4-methoxy-2-oxo-3-pyridinecarbonitrile, 1,2-Dihydro-4-methoxy-2-oxonicotinonitrile, 3-Cyano-2-hydroxy-4-methoxypyridine, 4-Methoxy-2-oxo-1,2-dihydropyridine-3-carbonitrile, N-Demethylricinine, , 800-656-5 |
|---|---|
| Topological Polar Surface Area | 62.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -0.2 |
| Is Pains | False |
| Molecular Formula | C7H6N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MWGIDWPSRDMIQN-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 3-Pyridinecarbonitrile, 1,2-dihydro-4-methoxy-2-oxo- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.043 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 150.043 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 150.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7825857636363636 |
| Inchi | InChI=1S/C7H6N2O2/c1-11-6-2-3-9-7(10)5(6)4-8/h2-3H,1H3,(H,9,10) |
| Smiles | COC1=C(C(=O)NC=C1)C#N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ricinus Communis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all