| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 10 | Yes |
Popular Name: 2-Chloronicotinic acid 2-Chloronicotinic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 26371-07-3 , 2942-59-8 , 56055-55-1 , 88912-27-0 , 960360-14-9 , [2942-59-8]
2-CHLORO-3-PYRIDINECARBOXYLIC ACID
2-Chloronicotinicacid hydrochloride
2-Chloropyridine-3-carboxylic acid
2-Chloropyridine-3-carboxylic acid hydrochloride
3-Chloropyridine-4-carboxylic acid, 97%
| 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) | 1.24 | 3.61 | -45.83 | 0 | 3 | -1 | 53 | 156.548 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 176 - 178 | Acros Organics |
| MP | 190-191° | Matrix Scientific |
| MP | 206-208° (dec.) | Oakwood Chemical |
| MP | 224 - 226 | Enamine Building Blocks |
| MP | 224...226 | Enamine Building Blocks |
| Melting_Point | 227-231? | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Purity | 99% | Matrix Scientific |
| MP | ca 177°(dec) | Matrix Scientific |
| Melting_Point | ca 180? dec. | Alfa-Aesar |
| Melting_Point | ca 180° dec. | Alfa-Aesar |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P305 + P35 | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.