ChemSpider 2D Image | 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID | C9H8N2O2

1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID

  • Molecular FormulaC9H8N2O2
  • Average mass176.172 Da
  • Monoisotopic mass176.058578 Da
  • ChemSpider ID19944643

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrrolo[2,3-b]pyridine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID [ACD/Index Name] [ACD/IUPAC Name]
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, methyl ester [ACD/Index Name]
Methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate [ACD/IUPAC Name]
Methyl-1H-pyrrolo[2,3-b]pyridin-3-carboxylat [German] [ACD/IUPAC Name]
MFCD09864656 [MDL number]
[808137-94-2]
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid,methyl ester
1H-Pyrrolo[2,3-b]pyridine-3-carboxylicacidmethylester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-15488]
    • Safety:

      20/21/22 Novochemy [NC-15488]
      20/21/36/37/39 Novochemy [NC-15488]
      26-37-60 Alfa Aesar H34248
      36/37/38 Alfa Aesar H34248
      GHS07; GHS09 Novochemy [NC-15488]
      H315-H319-H335 Alfa Aesar H34248
      H332; H403 Novochemy [NC-15488]
      Harmful/Irritant/Store under Argon SynQuest 4H23-1-M5, 71963
      IRRITANT Matrix Scientific 070207
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar H34248
      P332+P313; P305+P351+P338 Novochemy [NC-15488]
      Warning Alfa Aesar H34248
      Warning Novochemy [NC-15488]
      Xn Novochemy [NC-15488]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 347.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 163.9±22.3 °C
Index of Refraction: 1.648
Molar Refractivity: 48.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.17
ACD/KOC (pH 5.5): 207.81
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.25
ACD/KOC (pH 7.4): 209.20
Polar Surface Area: 55 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 133.0±3.0 cm3

Click to predict properties on the Chemicalize site






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