Cas no 920978-94-5 (5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid)

5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid structure
920978-94-5 structure
Product Name:5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CAS No:920978-94-5
MF:C8H5FN2O2
MW:180.13590502739
MDL:MFCD11518911
CID:796858
PubChem ID:45480298
Update Time:2024-10-26

5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
    • 1H-Pyrrolo[2,3-b]pyridine-2-carboxylicacid, 5-fluoro-
    • 5-Fluoro-7-azaindole-2-carboxylic acid
    • 1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID, 5-FLUORO-
    • 5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylicacid
    • PubChem14919
    • GLNFIUUKQXOTOZ-UHFFFAOYSA-N
    • 5556AC
    • ZB0307
    • FCH894326
    • PB16400
    • EN000869
    • AX8159157
    • ST24044718
    • 978F945
    • A844144
    • 1H-Pyr
    • 5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (ACI)
    • AS-50802
    • J-517494
    • SY097839
    • SCHEMBL297192
    • CS-0004680
    • AKOS006325785
    • P11143
    • DB-079230
    • 1H-5-fluoro-pyrrolo[2,3-b]pyridine-2-carboxylic acid
    • MFCD11518911
    • DTXSID50670292
    • 920978-94-5
    • MDL: MFCD11518911
    • Inchi: 1S/C8H5FN2O2/c9-5-1-4-2-6(8(12)13)11-7(4)10-3-5/h1-3H,(H,10,11)(H,12,13)
    • InChI Key: GLNFIUUKQXOTOZ-UHFFFAOYSA-N
    • SMILES: O=C(C1NC2C(=CC(=CN=2)F)C=1)O

Computed Properties

  • Exact Mass: 180.03400
  • Monoisotopic Mass: 180.034
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 224
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 66
  • XLogP3: 1.3

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 448.9±40.0 °C at 760 mmHg
  • Flash Point: 225.3±27.3 °C
  • Refractive Index: 1.707
  • PSA: 65.98000
  • LogP: 1.40020
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid Security Information

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5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Dabco Solvents: Dimethylformamide ;  > 1 min, rt
1.2 Catalysts: Palladium diacetate ;  20 min, rt; 3 h, rt → 100 °C; cooled
1.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 3, 0 °C
Reference
Preparation of pyrrolopyridine-2-carboxamide derivatives as VR1 type capsaicin receptor antagonists
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Dabco Catalysts: Palladium diacetate Solvents: Dimethylformamide ;  2.5 h, rt → 100 °C; cooled
1.2 Reagents: Hydrochloric acid Solvents: Water ;  rt → 0 °C; pH 3
Reference
Preparation of N-(aminoheteroaryl)-1H-pyrrolopyridine-2-carboxamides as VR1 type capsaicin receptor antagonists
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Dabco Solvents: Dimethylformamide ;  rt
1.2 Catalysts: Palladium diacetate ;  2.5 h, rt → 100 °C; cooled
Reference
Preparation of tricyclic N-(heteroaryl)-carboxamide derivatives as VR1 type capsaicin receptor ligands
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
Reference
Preparation of 1-(arylalkyl)-1H-pyrrolopyridine-2-carboxamide derivatives as VR1 type capsaicin receptor antagonists
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
Reference
Preparation of pyrrolopyridine-2-carboxamide derivatives as VR1 type capsaicin receptor antagonists
, France, , ,

Production Method 6

Reaction Conditions
Reference
Preparation of N-(aminoheteroaryl)-1H-pyrrolopyridine-2-carboxamides as VR1 type capsaicin receptor antagonists
, France, , ,

5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid Raw materials

5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid Preparation Products

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