Cas no 920978-95-6 (Ethyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate)

Ethyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate structure
920978-95-6 structure
Product Name:Ethyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CAS No:920978-95-6
MF:C10H9FN2O2
MW:208.189065694809
CID:746257
PubChem ID:57345886
Update Time:2024-10-26

Ethyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
    • 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-fluoro-, ethyl ester
    • 5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid ethyl ester
    • SC1066
    • SCHEMBL833789
    • Ethyl5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
    • AKOS015919735
    • ethyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-2--carboxylate
    • 920978-95-6
    • WWQDGBCPFZOGBI-UHFFFAOYSA-N
    • MFCD13196662
    • DTXSID90721015
    • MDL: MFCD13196662
    • Inchi: 1S/C10H9FN2O2/c1-2-15-10(14)8-4-6-3-7(11)5-12-9(6)13-8/h3-5H,2H2,1H3,(H,12,13)
    • InChI Key: WWQDGBCPFZOGBI-UHFFFAOYSA-N
    • SMILES: O=C(C1NC2C(=CC(=CN=2)F)C=1)OCC

Computed Properties

  • Exact Mass: 208.06500
  • Monoisotopic Mass: 208.06480570g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 250
  • 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
  • XLogP3: 2
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • PSA: 54.98000
  • LogP: 1.87870

Ethyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate Pricemore >>

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Ethyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Ethanol ,  Water ;  18 h, reflux; cooled
Reference
Preparation of N-(aminoheteroaryl)-1H-pyrrolopyridine-2-carboxamides as VR1 type capsaicin receptor antagonists
, World Intellectual Property Organization, , ,

Production Method 2

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

Production Method 3

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Ethanol ,  Water ;  24 h, rt → reflux
Reference
Preparation of pyrrolopyridine-2-carboxamide derivatives as VR1 type capsaicin receptor antagonists
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Water ;  18 h, rt → reflux; cooled
Reference
Preparation of tricyclic N-(heteroaryl)-carboxamide derivatives as VR1 type capsaicin receptor ligands
, World Intellectual Property Organization, , ,

Production Method 5

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

Production Method 6

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

Ethyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate Raw materials

Ethyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate Preparation Products

Ethyl 5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate Related Literature

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