| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | No |
Popular Name: 5-nitro-1-methyl-2(1H)-pyridinone 5-nitro-1-methyl-2(1H)-pyridinone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 21205-05-0 , 32896-90-5 , [32896-90-5]
1-methyl-5-nitro-1,2-dihydropyridin-2-one
1-Methyl-5-nitro-2(1H)-pyridinone
1-Methyl-5-nitropyridin-2(1H)-one
| 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) | 0.56 | 3.94 | -9.46 | 0 | 5 | 0 | 68 | 154.125 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.57 | 4.98 | -95.76 | 7 | 9 | 2 | 150 | 416.489 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 172 - 174 | Enamine Building Blocks |
| MP | 172...174 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.