Product Name

  • Name

    6-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

  • EINECS
  • CAS No. 800401-54-1
  • Article Data5
  • CAS DataBase
  • Density 1.644 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H5ClN2O2
  • Boiling Point 500.883 °C at 760 mmHg
  • Molecular Weight 196.59
  • Flash Point 256.725 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 800401-54-1 (6-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid)
  • Hazard Symbols
  • Synonyms 6-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid;6-Chloro-1H-pyrrolo[3;6-Chloro-5-azaindole-2-carboxylic acid
  • PSA 65.98000
  • LogP 1.91450

6-Chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid Specification

The 1H-Pyrrolo[3,2-c]pyridine-2-carboxylic acid, with the CAS registry number 800401-54-1, is also known as 6-Chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid. It belongs to the product categorie of Chiral chemicals. This chemical's molecular formula is C8H5ClN2O2 and molecular weight is 196.59. What's more, its systematic name is 6-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid.

Physical properties about 1H-Pyrrolo[3,2-c]pyridine-2-carboxylic acid are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.198; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 65.98 Å2; (11)Index of Refraction: 1.744; (12)Molar Refractivity: 48.445 cm3; (13)Molar Volume: 119.576 cm3; (14)Surface Tension: 84.794 dyne/cm; (15)Density: 1.644 g/cm3; (16)Flash Point: 256.725 °C; (17)Enthalpy of Vaporization: 81.041 kJ/mol; (18)Boiling Point: 500.883 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c2cnc(cc2[nH]c1C(=O)O)Cl
(2) InChI: InChI=1/C8H5ClN2O2/c9-7-2-5-4(3-10-7)1-6(11-5)8(12)13/h1-3,11H,(H,12,13)
(3) InChIKey: IZFVERBPAPUYEK-UHFFFAOYAO

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