HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Methylpyridin-2-carbonsure
6-METHYLPICOLINIC ACID · 6-METHYLPYRIDINE-2-CARBOXYLIC ACID · 6-METHYL-2-PICOLINIC ACID · NSC 26023 · NSC 109143 · IFLAB-BB F1790-0068 · RARECHEM AL BO 1402 · -2-pyridinecarboxyL
Identifikatoren & physikalische Daten
| CAS No. | 934-60-1 |
|---|---|
| Summenformel | C7H7NO2 |
| Durchschnittliche Molmasse | 137,14 g/mol |
| Monoisotopische Masse | 137,04767846 g/mol |
| SMILES | Cc1cccc(C(=O)O)n1 |
| InChIKey | LTUUGSGSUZRPRV-UHFFFAOYSA-N |
| PubChem CID | 70282 |
| ChEMBL | CHEMBL1650458 |
| EC No. | 213-287-4 |
| DTXSID | DTXSID20239416 |
| Lokaler Name | 6-Methylpyridin-2-carbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 136 |
| LogP (Verteilungskoeffizient) | -1.22 |
| Schmelzpunkt | 130 °C |
| Siedepunkt | 100°C/4.5mm |
| Dichte | 1.230±0.06 g/cm3(Predicted) |
| Flammpunkt | 100°C/4.5mm |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in water |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | pK1:5.83 (25°C) |
| Farbe | White to Almost white |
| InChI | InChI=1S/C7H7NO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4H,1H3,(H,9,10) |
| InChIKey | LTUUGSGSUZRPRV-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=NC(C)=CC=C1 |
| CAS Datenbank | 934-60-1(CAS DataBase Reference) |
| NIST chemische Informationen | 6-Methyl picolinic acid(934-60-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Pharmacological activity studied in regard to: Interactions of carrier ligands of antidiabetic metal complexes with human serum albuminAbility to chelate metalloenzyme inhibitorsInteractions of insulin-mimetic zinc(II) complexes with cell constituentsReactant for: Synthesis of inhibitors of human 11β -hydroxysteroid dehydrogenase type 1Lewis base organocatalysts for stereoselective hydrosilylation reactionsBiological studies of insulin-enhancing complexes