| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 8 | Yes |
Popular Name: 2-Cyanopyridine 2-Cyanopyridine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100-70-9 , [100-70-9]
| 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) | 0.52 | 3.04 | -7.8 | 0 | 2 | 0 | 37 | 104.112 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 0.52 | 3.31 | -37.78 | 1 | 2 | 1 | 38 | 105.12 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 212 - 215 | Acros Organics |
| Boiling_Point | 212-214? | Alfa-Aesar |
| Boiling_Point | 212-214° | Alfa-Aesar |
| Mp [°C] | 26 - 28 | Acros Organics |
| Melting_Point | 26-28? | Alfa-Aesar |
| Melting_Point | 26-28° | Alfa-Aesar |
| Patent Database Links | EP1238977; EP1422221; WO2005012306; WO2005035507; WO2005095401; WO2006091592 | ChEBI |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled; H335: May cause respiratory irritation; H315: Causes skin irritation | Acros Organics |
| melting_point | LMS | KeyOrganics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | 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; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.