6-Bromo-1H-pyrazolo[4,3-b]pyridin-3-amine - ≥97% , CAS No.1211516-09-4

CAS: 1211516-09-4 Cat. No.: B166524 Molecular Weight: 213.03

GRADE & PURITY ≥97%

Synonyms

1211516-09-4 | 6-BROMO-1H-PYRAZOLO[4,3-B]PYRIDIN-3-YLAMINE | 6-Bromo-1H-pyrazolo[4,3-b]pyridin-3-amine | 6-Bromo-2H-pyrazolo[4,3-b]pyridin-3-ylamine | DTXSID70679146 | AKOS015834521 | AMY9440 | FT-0682892 | A891928 | 3-AMINO-6-BROMO-1H-PYRAZOLO[4,3-B]PYRI

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1211516-09-4 | 6-BROMO-1H-PYRAZOLO[4, 3-B]PYRIDIN-3-YLAMINE | 6-Bromo-1H-pyrazolo[4, 3-b]pyridin-3-amine | 6-Bromo-2H-pyrazolo[4, 3-b]pyridin-3-ylamine | DTXSID70679146 | AKOS015834521 | AMY9440 | FT-0682892 | A891928 | 3-AMINO-6-BROMO-1H-PYRAZOLO[4, 3-B]PYRI

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504770987
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770987
• Canonical Smiles: C1=C(C=NC2=C1NN=C2N)Br
• IUPAC Name: 6-bromo-1H-pyrazolo[4,3-b]pyridin-3-amine
• InChIKey: GORWCQUHVRKSTN-UHFFFAOYSA-N
• INCHI: 1S/C6H5BrN4/c7-3-1-4-5(9-2-3)6(8)11-10-4/h1-2H,(H3,8,10,11)
• Isomeric SMILES: C1=C(C=NC2=C1NN=C2N)Br
• Molecular Weight: 213.03
• Reaxy-Rn: 35840569
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35840569&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolopyridines
• Alternative Parents: Pyridines and derivatives Imidolactams Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolopyridine - Aryl bromide - Aryl halide - Pyridine - Imidolactam - Azole - Pyrazole - Heteroaromatic compound - Azacycle - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 213.030 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 211.97 Da
• Monoisotopic Mass: 211.97 Da
• Topological Polar Surface Area: 67.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 154.000
• 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