| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: Ethyl 6-chloronicotinate Ethyl 6-chloronicotinate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 132123-54-7 , 49608-01-7 , [49608-01-7]
"Ethyl 6-chloropyridine-3-carboxylate, 98%"
6-Chloro-nicotinic acid ethyl ester
6-Chloronicotinic acid ethyl ester
Ethyl 6-chloro-3-pyridinecarboxylate
Ethyl 6-chloropyridine-3-carboxylate
| 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) | 1.93 | 4.74 | -4.93 | 0 | 3 | 0 | 39 | 185.61 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 150 / 18 | TCI |
| MP | 26 - 30 | Enamine Building Blocks |
| Melting_Point | 26-30? | Alfa-Aesar |
| MP | 26-30° | Matrix Scientific |
| MP | 26...30 | Enamine Building Blocks |
| MP | 28-30° | Matrix Scientific |
| Boiling_Point | 86-87?/1mm | Alfa-Aesar |
| BP | 86-87°/1mm | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Store in Freezer | Matrix Scientific |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.