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1-Methyl-4-oxo-1,4-dihydropyridine-2-carbonitrile

PubChem CID: 45087607

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Compound Synonyms 1-Methyl-4-oxo-1,4-dihydropyridine-2-carbonitrile, 84225-75-2, SB53476, DB-270992, 2-Pyridinecarbonitrile, 1,4-dihydro-1-methyl-4-oxo-
Topological Polar Surface Area 44.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 10.0
Isotope Atom Count 0.0
Molecular Complexity 267.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1-methyl-4-oxopyridine-2-carbonitrile
Prediction Hob 1.0
Xlogp 0.2
Molecular Formula C7H6N2O
Prediction Swissadme 0.0
Inchi Key IKVPLFYPMCVINP-UHFFFAOYSA-N
Fcsp3 0.1428571428571428
Logs -0.035
Rotatable Bond Count 0.0
Logd 0.143
Compound Name 1-Methyl-4-oxo-1,4-dihydropyridine-2-carbonitrile
Prediction Hob Swissadme 0.0
Exact Mass 134.048
Formal Charge 0.0
Monoisotopic Mass 134.048
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 134.14
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.0795556
Inchi InChI=1S/C7H6N2O/c1-9-3-2-7(10)4-6(9)5-8/h2-4H,1H3
Smiles CN1C=CC(=O)C=C1C#N
Nring 1.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Acacia Glaucescens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Agave Utahensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Artemisia Bigelovii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Blainvillea Rhomboidea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Centaurea Cadmea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Cyathocline Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Squamulosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Mallotus Repandus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Matricaria Parthenium (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Mnium Hornum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Plantago Alpina (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Pulicaria Wightiana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Senecio Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Thermopsis Lanceolata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Valeriana Hardwickii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Yucca Flexilis (Plant) Rel Props:Source_db:cmaup_ingredients
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