3-Methyl-2H-pyrazolo(3,4-b)pyridine-5-carboxylic acid
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Grundinformationen
- CAS
1118787-14-6- Standard-SMILES
Cc1n[nH]c2ncc(C(=O)O)cc12- InChIKey
LXSNZLZWYNZHEH-UHFFFAOYSA-N- Summenformel
- C8H7N3O2
- Durchschnittliche Molmasse
- 177,16 g/mol
- Monoisotopische Masse
- 177,05382648
Namen und Bezeichner
- Bevorzugter Name
- 3-Methyl-2H-pyrazolo(3,4-b)pyridine-5-carboxylic acid
- IUPAC
- 3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
- Englischer Name
- 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 3-methyl-
- Summenformel
- C8H7N3O2
- Molmasse
- 177.16
Namen und Synonyme
1118787-14-63-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acidDTXSID806495923-Methyl-2H-pyrazolo(3,4-b)pyridine-5-carboxylic acidRefChem:280823DTXCID00600342817-245-13-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acidMFCD11857900SCHEMBL11450073-Methyl-1H-pyrazolo[3,4-b]-pyridine-5-carboxylic acid1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 3-methyl-
Weitere Namen anzeigen
3-Methyl-1H-pyrazolo[3,4-...3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (>99%)(free base) 3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
SCHEMBL30692607LXSNZLZWYNZHEH-UHFFFAOYSA-NTUB78714AKOS022708921PB26726AS-33652SY097107DB-194134
Datenbank-Bezeichner
- CAS
1118787-14-6- PubChem CID
- 25358123
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 78,9 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 221
Physikochemische Eigenschaften
- Schmelzpunkt
- 350 °C · >350 °C
- Siedepunkt
- 468.8 · 468.8±40.0 °C(Predicted)
- Dichte
- 1.512 · 1.512±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 10.63 · 10.63±0.40(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Anwendungen
Verwenden3-Methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid is a useful reactant for the optimization of imidazo-thiadiazoles as CDK8 inhibitors.
Anbieter45 Anbieter
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