1,6-dimethylpyrazolo[3,4-b]pyridin-4-ol - ≥97% , CAS No.17902-26-0

CAS: 17902-26-0 Cat. No.: D630482 Peso molecular: 163.18 PubChem CID: 135426862

GRADE & PURITY ≥97%

Synonyms

EN300-364767 | NCIOpen2_000818 | 1,6-dimethyl-1H,4H,7H-pyrazolo[3,4-b]pyridin-4-one | 1,6-Dimethylpyrazolo[3,4-b]pyridin-4-ol | 1H-Pyrazolo[3,4-b]pyridin-4-ol, 1,6-dimethyl- | 1,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one | Z1509209579 | D84820 | 1,6-dimet

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EN300-364767 | NCIOpen2_000818 | 1, 6-dimethyl-1H, 4H, 7H-pyrazolo[3, 4-b]pyridin-4-one | 1, 6-Dimethylpyrazolo[3, 4-b]pyridin-4-ol | 1H-Pyrazolo[3, 4-b]pyridin-4-ol, 1, 6-dimethyl- | 1, 6-dimethyl-7H-pyrazolo[3, 4-b]pyridin-4-one | Z1509209579 | D84820 | 1, 6-dimet

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=O)C2=C(N1)N(N=C2)C
• IUPAC Name: 1,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one
• InChIKey: XIJVYDRFAKVCOH-UHFFFAOYSA-N
• INCHI: 1S/C8H9N3O/c1-5-3-7(12)6-4-9-11(2)8(6)10-5/h3-4H,1-2H3,(H,10,12)
• Isómeros SMILES: CC1=CC(=O)C2=C(N1)N(N=C2)C
• CAS alternativo: 17902-26-0
• PubChem CID: 135426862
• Número NSC: 76125
• Peso molecular: 163.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: Hydroxypyridines 2-halopyridines Heteroaromatic compounds Azoles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Hydroxypyridine - Heteroaromatic compound - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 163.180 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 163.075 Da
• Monoisotopic Mass: 163.075 Da
• Topological Polar Surface Area: 46.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 249.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1