5-Fluoro-1H-pyrrolo[2,3-b]pyridine

HCID 20784462

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 866319-00-8
Standard-SMILES: Fc1cnc2[nH]ccc2c1
InChIKey: BALBNSFYMXBWNM-UHFFFAOYSA-N
Summenformel: C7H5FN2
Durchschnittliche Molmasse: 136,13 g/mol
Monoisotopische Masse: 136,04367633

Namen und Bezeichner

Bevorzugter Name: 5-Fluoro-1H-pyrrolo[2,3-b]pyridine
IUPAC: 5-fluoro-1H-pyrrolo[2,3-b]pyridine
Englischer Name: 5-FLUORO-1H-PYRROLO[2,3-B]PYRIDINE
Summenformel: C7H5FN2
Molmasse: 136.13

Namen und Synonyme

5-Fluoro-1H-pyrrolo[2,3-b]pyridine866319-00-8DTXSID106097805-Fluoro-1H-pyrrolo(2,3-b)pyridineRefChem:303102DTXCID40560537800-024-95-Fluoro-7-azaindoleMFCD066596781H-PYRROLO[2,3-B]PYRIDINE, 5-FLUORO-CS-B0496AKOS005063475

Weitere Namen anzeigen

SW-10SWF-10EOS-605875-Fluor-1H-pyrrolo[2,3-b]pyridin5-Fluoro-1H-pyrrolo[2,3-b]pyridin5-Fluoro-1H-pyrrolo[2,4-b]pyridine5-Fluoro-7-azaindole (5-Fluoro-1H-pyrrolo[2,3-b]pyridine)

PB12380SY009141EN300-123951Z1198169606PWD5-Floro-7-azaindoleAM20070198FT-0646623

Datenbank-Bezeichner

CAS: 866319-00-8
PubChem CID: 20784462
DTXSID: DTXSID10609780
ChEMBL: CHEMBL4532450
EC Number: 800-024-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 28,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 129

Physikochemische Eigenschaften

Schmelzpunkt: 112 · 112-113°C
Dichte: 1.35 · 1.35
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder
pka: 13.04 · 13.04±0.40(Predicted)
Farbe: Beige to brown
InChI: 1S/C7H5FN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)
InChIKey: BALBNSFYMXBWNM-UHFFFAOYSA-N
SMILES: Fc1cnc2[nH]ccc2c1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 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%)；Eye Dam. 1 (97.6%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 22-41
hazard_code: Xi,Xn
safety_code: 26-39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden5-Fluoro-1H-pyrrolo[2,3-B]pyridine is an important pharmaceutical intermediate. This type of derivative exists in alkaloids such as ASP3627, Mappicine, and Vemurafenib, and can be used as LRRK2 inhibitors, MPS1 inhibitors, JAK1 inhibitors, Met kinase inhibitors, etc.