Cas no 1190319-82-4 (methyl 4-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylate)

methyl 4-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylate structure
1190319-82-4 structure
Product Name:methyl 4-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CAS No:1190319-82-4
MF:C9H7BrN2O2
MW:255.068081140518
MDL:MFCD12962575
CID:2616159
PubChem ID:72207429
Update Time:2025-04-21

methyl 4-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 4-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
    • DTXSID801211941
    • SY097327
    • DB-431288
    • MFCD12962575
    • CS-0049052
    • SCHEMBL22553986
    • AS-50949
    • METHYL4-BROMO-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE
    • 1190319-82-4
    • METHYL 4-BROMO-7-AZAINDOLE-3-CARBOXYLATE
    • 4-BROMO-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID METHYL ESTER
    • AKOS027253825
    • P11532
    • 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-bromo-, methyl ester
    • PB22652
    • MDL: MFCD12962575
    • Inchi: 1S/C9H7BrN2O2/c1-14-9(13)5-4-12-8-7(5)6(10)2-3-11-8/h2-4H,1H3,(H,11,12)
    • InChI Key: CPNMUJAOYRRWCQ-UHFFFAOYSA-N
    • SMILES: BrC1C=CN=C2C=1C(C(=O)OC)=CN2

Computed Properties

  • Exact Mass: 253.96909g/mol
  • Monoisotopic Mass: 253.96909g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 237
  • 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: 1.9
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • Density: 1.7±0.1 g/cm3

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