Cas no 65602-47-3 (1H-PYRROLO[2,3-B]PYRIDINE-3,5-DICARBOXYLIC ACID, 2,6-DIMETHYL-, DIMETHYL ESTER)

1H-PYRROLO[2,3-B]PYRIDINE-3,5-DICARBOXYLIC ACID, 2,6-DIMETHYL-, DIMETHYL ESTER structure
65602-47-3 structure
Product Name:1H-PYRROLO[2,3-B]PYRIDINE-3,5-DICARBOXYLIC ACID, 2,6-DIMETHYL-, DIMETHYL ESTER
CAS No:65602-47-3
MF:C13H14N2O4
MW:262.261263370514
CID:3236682
PubChem ID:12395943
Update Time:2025-04-21

1H-PYRROLO[2,3-B]PYRIDINE-3,5-DICARBOXYLIC ACID, 2,6-DIMETHYL-, DIMETHYL ESTER Chemical and Physical Properties

Names and Identifiers

    • 1H-PYRROLO[2,3-B]PYRIDINE-3,5-DICARBOXYLIC ACID, 2,6-DIMETHYL-, DIMETHYL ESTER
    • 1H-Pyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid, 2,6-dimethyl-, 3,5-dimethyl ester
    • 1h-pyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid,2,6-dimethyl-,dimethyl ester
    • 65602-47-3
    • Inchi: 1S/C13H14N2O4/c1-6-8(12(16)18-3)5-9-10(13(17)19-4)7(2)15-11(9)14-6/h5H,1-4H3,(H,14,15)
    • InChI Key: SLQSFDXKAGAMQJ-UHFFFAOYSA-N
    • SMILES: C12NC(C)=C(C(OC)=O)C1=CC(C(OC)=O)=C(C)N=2

Computed Properties

  • Exact Mass: 262.09535693Da
  • Monoisotopic Mass: 262.09535693Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 374
  • 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: 1.8
  • Topological Polar Surface Area: 81.3?2
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