| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2007 | 15 | Yes |
Popular Name: ETHYL 3-CYANO-2-HYDROXY-6-METHYLISONICOTINATE ETHYL 3-CYANO-2-HYDROXY-6-METHYL…
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CAS Numbers: 18619-97-1 , [18619-97-1]
3-Cyano-2-hydroxy-6-methyl-isonicotinic acid ethyl ester
3-Cyano-6-methyl-2-oxo-1,2-dihydro-pyridine-4-carboxylic acid ethyl ester
3-Cyano-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid ethyl ester
Ethyl 3-cyano-1,2-dihydro-6-methyl-2-oxopyridine-4-carboxylate
ethyl 3-cyano-2-hydroxy-6-methylpyridine-4-carboxylate
Ethyl 3-Cyano-6-methyl-2-oxo-1,2-dihydro-pyridine-
Ethyl 3-Cyano-6-methyl-2-oxo-1,2-dihydro-pyridine-4-carboxylate
ethyl-3-cyano-2-hydroxy-6-methylisonicotinate
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.10 | 1.79 | -48.24 | 0 | 5 | -1 | 86 | 205.193 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.64 | 3.76 | -20.63 | 1 | 5 | 0 | 83 | 206.201 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 208-210° | Oakwood Chemical |
| Purity | 95%+ | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.