| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 14 | Yes |
Popular Name: 2-Chloro-6-(trifluoromethyl)nicotinic acid 2-Chloro-6-(trifluoromethyl)nico…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 280566-45-2 , [280566-45-2]
2-Chloro-6-(trifluoromethyl)nicotinic acid, 97%
2-Chloro-6-(trifluoromethyl)nicotinicacid
2-Chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid
2-Chloro-6-trifluoromethylnicotinic acid
| 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) | 2.21 | 1.75 | -39.86 | 0 | 3 | -1 | 53 | 224.545 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 106 - 108 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 113 - 115 | Enamine Building Blocks |
| MP | 113...115 | Enamine Building Blocks |
| MP | 114 | TCI |
| MP | 117 - 122 | Enamine Building Blocks |
| Melting_Point | 118-120? | Alfa-Aesar |
| Melting_Point | 118-120° | Alfa-Aesar |
| MP | 120-122° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Warnings | Irritant | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.