| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2008 | 9 | Yes |
Popular Name: 3-Bromo-4-cyanopyridine 3-Bromo-4-cyanopyridine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13958-98-0 , [13958-98-0]
| 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) | 1.36 | 3.62 | -5.59 | 0 | 2 | 0 | 37 | 183.008 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.36 | 3.9 | -44.82 | 1 | 2 | 1 | 38 | 184.016 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 92-94? | Alfa-Aesar |
| Melting_Point | 92-94° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| H phrase | H301: Toxic if swallowed; H311: Toxic in contact with skin; H331: Toxic if inhaled | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing; P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P | Acros Organics |
| R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.