| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 10 | Yes |
Popular Name: 6-Fluoronicotinic acid 6-Fluoronicotinic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 403-45-2 , [403-45-2]
2-Fluoro-5-pyridine carboxylic acid
2-Fluoro-5-pyridinecarboxylic acid
2-Fluoropyridine-5-carboxylic acid
6-Fluoro-3-pyridinecarboxylic acid
6-Fluoropyridine-3-carboxylic 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) | 0.78 | 2.28 | -41.5 | 0 | 3 | -1 | 53 | 140.093 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 143 - 145 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 144 - 148 | Enamine Building Blocks |
| Melting_Point | 144-148? | Alfa-Aesar |
| Melting_Point | 144-148° | Alfa-Aesar |
| MP | 144...148 | Enamine Building Blocks |
| MP | 146-147° | Matrix Scientific |
| MP | 146-147°(dec.) | Fluorochem |
| Mp [°C] | 306.8 - 311.2 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| Purity | 90% | Fluorochem |
| purity | 95 | Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash wit | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.