| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2008 | 14 | Yes |
Popular Name: 2-bromo-6-(trifluoromethyl)nicotinic acid 2-bromo-6-(trifluoromethyl)nicot…
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CAS Numbers: 749875-07-8 , 76437-44-0 , [749875-07-8]
2-Bromo-6-(trifluoromethyl)nicotinicacid
2-Bromo-6-trifluoromethyl-3-pyridinecarboxylic acid
3-Pyridinecarboxylic acid, 2-bromo-6-(trifluoromethyl)-
4-fluoro-2-nitrobenzyl bromide
Benzene, 1-(bromomethyl)-4-fluoro-2-nitro-
| 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) | 2.34 | 3.76 | -39.17 | 0 | 3 | -1 | 53 | 268.996 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.67 | 10.73 | -51.02 | 6 | 9 | 1 | 134 | 509.59 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 102 - 104 | MolMall (formerly Molecular Diversity Preservation International) |
| melting_point | 130 - 132 | KeyOrganics |
| MP | 130-132° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.