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Substance Name: 1H-Pyrrolo(3,2-b)pyridine
RN: 272-49-1
InChIKey: XWIYUCRMWCHYJR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H6-N2

Molecular Weight

  • 118.138
 
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Names and Synonyms

Synonyms

  • 1,4-Diazaindene
  • 4-Azaindole
  • 5-23-06-00303 (Beilstein Handbook Reference)
  • BRN 0109683

Systematic Name

  • 1H-Pyrrolo(3,2-b)pyridine

Registry Numbers

CAS Registry Number

  • 272-49-1

System Generated Number

  • 0000272491

Structure Descriptors

InChI

1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-5,9H

InChIKey

XWIYUCRMWCHYJR-UHFFFAOYSA-N

Smiles

c12c([nH]cc1)cccn2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 260mg/kg (260mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 480, 1963.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.030 (none)   EST
Water Solubility 2850 mg/L 25 EST
Vapor Pressure 8.58E-03 mm Hg 25 EST
Henry's Law Constant 1.16E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.10E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.