| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 12 | Yes |
Popular Name: pyridine-3,5-dicarboxylic acid pyridine-3,5-dicarboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 499-81-0 , [499-81-0]
"3,5-Pyridinedicarboxylic acid, 97.5%"
3,5-Pyridinedicarboxylic acid, 98%
3,5-pyridinedicarboxylic acid; 499-81-0; nsc6497
3,5-pyridinedicarboxylic acid; 5-carboxynicotinic acid; Dinicotinic 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) | -0.17 | 3.83 | -97.35 | 0 | 5 | -2 | 93 | 165.104 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.17 | 4.27 | -67.81 | 1 | 5 | -1 | 94 | 166.112 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 298 - 300 | Enamine Building Blocks |
| MP | 298...300 | Enamine Building Blocks |
| MP | 325°(dec) | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| melting_point | > 300 | KeyOrganics |
| Mp [°C] | >300 | Acros Organics |
| MP | >300° | Oakwood Chemical |
| Melting_Point | ca 325? dec. | Alfa-Aesar |
| Melting_Point | ca 325° dec. | Alfa-Aesar |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H302: Harmful if swallowed; H315: Causes skin irritation; H312: Harmful in contact with skin; H335: May cause respiratory irritation; H332: Harmful if inhaled | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| 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.