1H-Pyrrolo[2,3-b]pyridin

1H-Pyrrolo(2,3-b)pyridine

HCID 9222CAS 10592-27-5

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Grundinformationen

Standard-SMILES: c1cnc2[nH]ccc2c1
InChIKey: MVXVYAKCVDQRLW-UHFFFAOYSA-N
Summenformel: C7H6N2
Durchschnittliche Molmasse: 118,14 g/mol
Monoisotopische Masse: 118,0530982

Namen und Bezeichner

Bevorzugter Name: 1H-Pyrrolo(2,3-b)pyridine
IUPAC: 1H-pyrrolo[2,3-b]pyridine
Englischer Name: 2,3-Dihydro-1H-pyrrolo[2,3-b]pyridine
Summenformel: C7H8N2
Molmasse: 120.15

Namen und Synonyme

1H-Pyrrolo[2,3-b]pyridine271-63-61,7-Diazaindene7H-Pyrrolo[2,3-b]pyridine7-Aza-1-pyrindine1,7-Dideazapurine1H-PYRROLO(2,3-b)PYRIDINE7H-Pyrrolo(2,3-b)pyridinepyrrolo[2,3-b]pyridinePyrrolo(2,3-b)pyridineQX4465NR9TNSC-67063

Weitere Namen anzeigen

2,3-Dihydro-7-azaindole7-azaindoline2,3-Dihydro-7-azaindole 98%1H,2H,3H-pyrrolo[2,3-b]pyridine2,3-Dihydro-1H-pyrrolo[2,3-b]pyridine1H-Pyrrolo[2,3-b]pyridine, 2,3-dihydro-2,3-Dihydropyrrolo[2,3-b]pyridine, 97+%1H-Pyrrolo[2,3-b]pyridine,2,3-dihydro-(6CI,8CI,9CI)2,3-Dihydro-1H-pyrrolo[2,3-b]pyridine 7-azaindoline2,3 DIHYDRO 1H PYRROLO[2,3 B]PYRIDINE,2,3DIHYDRO1HPYRROLO[2,3B]PYRIDINE

NSC-77951DTXSID3075046RefChem:799601H-Pyrrolo2,3-bpyridinepyrrolo(2, 3-b)pyridineDTXCID9037616205-981-07-Azaindole

Datenbank-Bezeichner

CAS: 10592-27-5、271-63-6
PubChem CID: 9222
DTXSID: DTXSID3075046
ChEMBL: CHEMBL389685
ChEBI: CHEBI:194830
UNII: QX4465NR9T
EC Number: 205-981-0
Nikkaji: J49.676F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 28,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 103

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

1192

1292；220.25；223.7

Physikochemische Eigenschaften

Schmelzpunkt: 78 · 78-83 °C
Siedepunkt: 114 °C/10mmHg · 114°C/10mmHg(lit.)
Dichte: 1.23 · 1.23
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
pka: 10.75 · 10.75±0.20(Predicted)
Aggregatzustand: Powder
Farbe: White
Wasserlöslichkeit: Slightly soluble in water.
InChI: 1S/C7H8N2/c1-2-6-3-5-9-7(6)8-4-1/h1-2,4H,3,5H2,(H,8,9)
InChIKey: ZFFYPGZDXUPKNK-UHFFFAOYSA-N
SMILES: C1Cc2cccnc2N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 71.4% (40 of 56) of all reports.

Danger

H302 (19.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (19.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (25%): 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 40 of 56 reports by companies.；There are 5 notifications provided by 16 of 56 reports by companies with hazard statement code(s).；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.