HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-(Methoxycarbonyl)pyridine-2-carboxylic acid
5-(Methoxycarbonyl)picolinic acid · BUTTPARK 43\57-32 · 2-Carboxy-5-(methoxycarbonyl) · 5-(Methoxycarbonyl)-2-Pyridine · 5-(Methoxvcarbonvl)picolinicacid · 5-methoxycarbonyl-2-pyridinecarboxylate · 5-(methoxycarbonyl)pyridine-2-carboxylate · 5-(Methoxycarbonyl)-2-pyridinecarboxylicaci
Identifikatoren & physikalische Daten
| CAS No. | 17874-79-2 |
|---|---|
| Summenformel | C8H7NO4 |
| Durchschnittliche Molmasse | 181,15 g/mol |
| Monoisotopische Masse | 181,0375077 g/mol |
| SMILES | COC(=O)c1ccc(C(=O)O)nc1 |
| InChIKey | NTCKZTBRFXTYBD-UHFFFAOYSA-N |
| PubChem CID | 314992 |
| ChEMBL | CHEMBL1567882 |
| EC No. | 672-842-2 |
| DTXSID | DTXSID50311057 |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 76,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 216 |
| Löslichkeit | 21.5 [ug/mL] (The mean of the results at pH 7.4)Chloroform (Sparingly, Heated), DMSO (Slightly), Methanol (Slightly) |
| Schmelzpunkt | 187 °C |
| Siedepunkt | 347.9±27.0 °C(Predicted) |
| Dichte | 1.361±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.21±0.10(Predicted) |
| Farbe | White to Off-White |
| Stabilität | Hygroscopic |
| InChI | InChI=1S/C8H7NO4/c1-13-8(12)5-2-3-6(7(10)11)9-4-5/h2-4H,1H3,(H,10,11) |
| InChIKey | NTCKZTBRFXTYBD-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=NC=C(C(OC)=O)C=C1 |
| CAS Datenbank | 17874-79-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (25%) |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37/39-22 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Compound has been shown to have insulin mimetic properties.