1-(2-fluoro-benzyl)-1h-pyrazolo[3,4-b]pyridine-3-carboxamidine hydrochloride - ≥97% , CAS No.256499-19-1

CAS: 256499-19-1 Cat. No.: F175915 Peso molecular: 305.74 Número EC: 854-354-3 PubChem CID: 57415844

GRADE & PURITY ≥97%

Synonyms

1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboximidamidehydrochloride | 1-(2-FLUORO-BENZYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-3-CARBOXAMIDINE HYDROCHLORIDE | 1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamidine hydrochloride | Fluoro-benzyl)-1H-p

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-(2-Fluorobenzyl)-1H-pyrazolo[3, 4-b]pyridine-3-carboximidamidehydrochloride | 1-(2-FLUORO-BENZYL)-1H-PYRAZOLO[3, 4-B]PYRIDINE-3-CARBOXAMIDINE HYDROCHLORIDE | 1-(2-Fluorobenzyl)-1H-pyrazolo[3, 4-b]pyridine-3-carboxamidine hydrochloride | Fluoro-benzyl)-1H-p

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488201842
• Sonrisas canónicas: C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C(=N2)C(=N)N)F.Cl
• IUPAC Name: 1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride
• InChIKey: DQASIYVADJWVLY-UHFFFAOYSA-N
• INCHI: 1S/C14H12FN5.ClH/c15-11-6-2-1-4-9(11)8-20-14-10(5-3-7-18-14)12(19-20)13(16)17;/h1-7H,8H2,(H3,16,17);1H
• Isómeros SMILES: C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C(=N2)C(=N)N)F.Cl
• PubChem CID: 57415844
• Peso molecular: 305.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolopyridines
• Alternative Parents: Fluorobenzenes Pyridines and derivatives Aryl fluorides Quaternary ammonium salts Pyrazoles Heteroaromatic compounds Carboximidamides Carboxamidines Azacyclic compounds Organofluorides Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolopyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Quaternary ammonium salt - Azacycle - Carboxylic acid amidine - Amidine - Carboximidamide - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic chloride salt - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazolopyridines. These are compounds containing a pyrazolopyridine skeleton, which consists of a pyrazole fused to a pyridine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyridine is a 6-membered ring with four carbon and one nitrogen atoms.
• 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: 305.740 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 305.084 Da
• Monoisotopic Mass: 305.084 Da
• Topological Polar Surface Area: 80.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 363.000
• 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: 2

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