| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2004 | 7 | Yes |
Popular Name: 3-Hydroxypyridine 3-Hydroxypyridine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 109-00-2 , 52536-09-1 , 6859-99-0 , N/A , [109-00-2] , [52536-09-1]
| 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) | 0.65 | 1.11 | -26.81 | 1 | 2 | 0 | 37 | 95.101 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.65 | 0.66 | -40.82 | 0 | 2 | -1 | 36 | 94.093 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.65 | -0.11 | -5.21 | 1 | 2 | 0 | 33 | 95.101 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -0.27 | 1.59 | -41.63 | 1 | 2 | 1 | 31 | 96.109 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 123 - 130 | Acros Organics |
| Melting_Point | 125-128? | Alfa-Aesar |
| Melting_Point | 125-128° | Alfa-Aesar |
| MP | 126 | TCI |
| MP | 126 - 129 | Enamine Building Blocks |
| MP | 126...129 | Enamine Building Blocks |
| BP [°C] | 180 (p=22 torr) | Acros Organics |
| Boiling_Point | 180?/22mm | Alfa-Aesar |
| BP | 180° | Oakwood Chemical |
| Boiling_Point | 180°/22mm | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H302: Harmful if swallowed; H335: May cause respiratory irritation; H319: Causes serious eye 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; 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 | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.