Cas no 875637-22-2 (Benzoic acid, 4-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-)

Benzoic acid, 4-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]- structure
875637-22-2 structure
Product Name:Benzoic acid, 4-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-
CAS No:875637-22-2
MF:C20H14N2O3
MW:330.336764812469
CID:1906688
PubChem ID:59700129
Update Time:2025-04-21

Benzoic acid, 4-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-
    • 4-[5-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
    • SCHEMBL8256634
    • 875637-22-2
    • DB-380424
    • Inchi: 1S/C20H14N2O3/c23-16-3-1-2-14(8-16)15-9-17-18(11-22-19(17)21-10-15)12-4-6-13(7-5-12)20(24)25/h1-11,23H,(H,21,22)(H,24,25)
    • InChI Key: MMDODHCWRZRKEA-UHFFFAOYSA-N
    • SMILES: OC1=CC=CC(=C1)C1=CN=C2C(=C1)C(=CN2)C1C=CC(C(=O)O)=CC=1

Computed Properties

  • Exact Mass: 330.10044231Da
  • Monoisotopic Mass: 330.10044231Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 478
  • 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: 3.7
  • Topological Polar Surface Area: 86.2?2
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