ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

HCID 2736380CAS 20481-15-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCOC(=O)c1cnc2c(c(C)nn2C)c1Cl
InChIKey: QJXXEUYFFZWYCX-UHFFFAOYSA-N
Summenformel: C11H12ClN3O2
Durchschnittliche Molmasse: 253,68 g/mol
Monoisotopische Masse: 253,0618043

Namen und Bezeichner

Bevorzugter Name: ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
IUPAC: ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
Englischer Name: Ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Summenformel: C11H12ClN3O2
Molmasse: 253.69

Namen und Synonyme

20481-15-6ethyl 4-chloro-1,3-dimethyl-1h-pyrazolo[3,4-b]pyridine-5-carboxylateDTXSID20371320ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo(3,4-b)pyridine-5-carboxylateRefChem:343878DTXCID40322354673-095-5ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylateMFCD000679541H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 4-chloro-1,3-dimethyl-, ethyl esterEthyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine 5-carboxylateETHYL4-CHLORO-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE

Weitere Namen anzeigen

Ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridineethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-car...ETHYL 4-CHLORO-5,7-DIMETHYLPYRAZOLO(3,4-B)PYRIDINE-3-CARBOXYLATEethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylatEthyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate ,97%

4-Chloro-1,3-Dimethyl-1H-Pyrazolo[3,4-B]Pyridine-5-Carboxylic Acid Ethyl EsterSCHEMBL583418BUTTPARK 30\08-33QJXXEUYFFZWYCX-UHFFFAOYSA-NSBB101302AKOS025117210PB184411H-Pyrazolo[3,4-b]pyridine-5-carboxylicacid, 4-chloro-1,3-dimethyl-, ethyl ester

Datenbank-Bezeichner

CAS: 20481-15-6
PubChem CID: 2736380
DTXSID: DTXSID20371320
EC Number: 673-095-5
Nikkaji: J2.079.858K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 57 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 17
Formalladung: 0
Komplexität: 302

Physikochemische Eigenschaften

Schmelzpunkt: 89 · 89-90°C
Siedepunkt: 356 · 356.0±37.0 °C(Predicted)
Dichte: 1.38 · 1.38±0.1 g/cm3(Predicted)
pka: 1.74 · 1.74±0.30(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.