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Home> Hot Product Listed Z   > ZINC49420843
35441-10-2 structure

ZINC49420843

Iupac Name:2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CAS No.:35441-10-2
Molecular Weight:136.11
Molecular Formula:C21H18CLN5OS2 (isomer)
Names and Identifiers
Synonyms

AKOS021752338 F3407-0238 MCULE-9671693757 MOLPORT-009-718-775 n-(4-fluorophenyl)-2-(7-(3-isopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide n~1~-(4-fluorophenyl)-2-[7-(3-isopropyl-1,2,4-oxadiazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide VU0625977-1

Inchi
InChI=1S/C6H4N2O2/c7-3-4-1-2-5(9)8-6(4)10/h1-2H,(H2,8,9,10)
InChkey
BFHKYHMCIAMQIN-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=O)NC(=C1C#N)O
Properties
Vapour
1.19E-05mmHg at 25°C
Refractive Index
1.621
HS Code
2933399090
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:136.11g/mol
  • Molecular Formula:C21H18CLN5OS2
  • Compound Is Canonicalized:True
  • Exact Mass:136.027
  • Monoisotopic Mass:136.027
  • Complexity:279
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:73.1A^2
  • Heavy Atom Count:10
  • 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: AAADcYBjMAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQCAAADACBgAAAAALAAgCY BiFSUACgAAAgIAAICAAAAEkIgAAAAAAAAAAAEAAIgYIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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