Cas no 140640-93-3 (1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde,4-(4-fluorophenyl)-6-(1-methylethyl)-)

1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde,4-(4-fluorophenyl)-6-(1-methylethyl)- structure
140640-93-3 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde,4-(4-fluorophenyl)-6-(1-methylethyl)-
CAS No:140640-93-3
MF:C17H15FN2O
MW:282.312207460403
CID:103017
PubChem ID:14994384
Update Time:2025-04-18

1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde,4-(4-fluorophenyl)-6-(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde,4-(4-fluorophenyl)-6-(1-methylethyl)-
    • 4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
    • 1H-Pyrrolo[2,3-b]pyridine-5-carbaldehyde,4-(4-fluorophenyl)-6-(1-methylethyl)
    • 1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde,4-(4-fluorophenyl)-6-(1-methylethyl)
    • SCHEMBL9698112
    • 4-(4-Fluorophenyl)-6-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
    • 4-(4-Fluorophenyl)-5-formyl-6-isopropyl-1H-pyrrolo-[2,3-b]pyridine
    • 140640-93-3
    • UYQNFQJGHOQEHV-UHFFFAOYSA-N
    • DTXSID30566684
    • 4-(4-FLUOROPHENYL)-6-ISOPROPYL-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBALDEHYDE
    • AKOS015966259
    • 1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde, 4-(4-fluorophenyl)-6-(1-methylethyl)-
    • Inchi: 1S/C17H15FN2O/c1-10(2)16-14(9-21)15(11-3-5-12(18)6-4-11)13-7-8-19-17(13)20-16/h3-10H,1-2H3,(H,19,20)
    • InChI Key: UYQNFQJGHOQEHV-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)C1C2C=CNC=2N=C(C=1C=O)C(C)C

Computed Properties

  • Exact Mass: 282.11700
  • Monoisotopic Mass: 282.11684127g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 368
  • 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: 45.8?2

Experimental Properties

  • Density: 1.247
  • Boiling Point: 481.3°C at 760 mmHg
  • Flash Point: 244.9°C
  • Refractive Index: 1.645
  • PSA: 45.75000
  • LogP: 4.30490
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