| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 8 | Yes |
Popular Name: Pyridine-3,4-diol Pyridine-3,4-diol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10182-48-6 , 1121-23-9 , 30652-11-0 , [10182-48-6] , [30652-11-0]
10182-48-6; 3,4-Dihydroxypyridine; C02932
1121-23-9; 3-Hydroxy-4(1H)-pyridinone; 3-Hydroxy-4H-pyrid-4-one; 3-Hydroxypyridin-4(1H)-one; C03927
3,4-dihydroxypyridin; 3,4-dihydroxypyridine; DIHYDROXYPIRIDIN-CPD; pyridine-3,4-diol
3,4-Dihydroxypyridine; 3,4-Pyridinediol; BRN 0110211; LS-131506
3-Hydroxy-1,2-dimethyl-4(1H)-pyridone
3-hydroxy-4(1H)-pyridinone; 3-hydroxy-4-pyridone; 3-hydroxy-4H-pyrid-4-one; 3-hydroxypyridine-4-one
3-Hydroxy-4(1H)-pyridinone; 3-hydroxy-4h-pyrid-4-one; 3-hydroxypyridine-4-one
CHEBI:11700; CHEBI:1389; CHEBI:19893
CHEBI:29082; CHEBI:20031; CHEBI:1511; CHEBI:11818; CHEBI:20048
| 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) | -0.79 | 0.4 | -16.38 | 2 | 3 | 0 | 53 | 111.1 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 0.13 | -2.01 | -34.47 | 3 | 3 | 1 | 55 | 112.108 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| UniProt Database Links | CYSK_CITLA | ChEBI |
| PUBCHEM_PATENT_ID | EP0265185A2; EP0293532A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.