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Substance Name: 1H-Pyrrolo(2,3-c)pyridine
RN: 271-29-4
InChIKey: XLKDJOPOOHHZAN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H6-N2

Molecular Weight

  • 118.138
 
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Names and Synonyms

Synonyms

  • 1,6-Diazaindene
  • 5-23-06-00305 (Beilstein Handbook Reference)
  • 6-Azaindole
  • BRN 0109685
  • Harmyrine

Systematic Name

  • 1H-Pyrrolo(2,3-c)pyridine

Registry Numbers

CAS Registry Number

  • 271-29-4

System Generated Number

  • 0000271294

Structure Descriptors

InChI

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

InChIKey

XLKDJOPOOHHZAN-UHFFFAOYSA-N

Smiles

c12c([nH]cc1)cncc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 12mg/kg (12mg/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 1.35E+04 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.