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Home> Hot Product Listed Z   > ZINC49410790
1190316-96-1 structure

ZINC49410790

Iupac Name:3-iodo-7-methoxy-1H-pyrrolo[2,3-c]pyridine
CAS No.:1190316-96-1
Molecular Weight:274.061
Molecular Formula:C18H11CLFN3O2S (isomer)
Names and Identifiers
Synonyms

AKOS021967254 F3406-9609 MCULE-7292783488 MOLPORT-009-718-207 n-(2,5-difluorophenyl)-2-(7-((4-fluorophenyl)amino)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2(3h)-yl)acetamide n~1~-(2,5-difluorophenyl)-2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3h)-yl]acetamide

Inchi
InChI=1S/C8H7IN2O/c1-12-8-7-5(2-3-10-8)6(9)4-11-7/h2-4,11H,1H3
InChkey
RNQCGSZKLYMHCD-UHFFFAOYSA-N
Canonical Smiles
COC1=NC=CC2=C1NC=C2I
Computational chemical data
  • Molecular Weight:274.061g/mol
  • Molecular Formula:C18H11CLFN3O2S
  • Compound Is Canonicalized:True
  • Exact Mass:273.96
  • Monoisotopic Mass:273.96
  • Complexity:167
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.9A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBzIAAAAgAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHgAwAAAADAjDngY+xPLJlACg AzRnRASCiCQxciAI2aA9fJgOZuLEsJuVMChkwBHY6AaQEAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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