6-Bromo-1H-pyrazolo[4,3-c]pyridine - ≥97% , CAS No.1206973-12-7

CAS: 1206973-12-7 Cat. No.: B166507 Molecular Weight: 198.02

GRADE & PURITY ≥97%

Synonyms

1H-Pyrazolo[4,3-c]pyridine,6-broMo- | SCHEMBL16339586 | AKOS016003702 | 6-Bromo-1H-pyrazolo[4,3-c]pyridine | PB34836 | BBL102983 | BCP09518 | SCHEMBL17504827 | 1206973-12-7 | A851461 | 1H-PYRAZOLO[4,3-C]PYRIDINE, 6-BROMO- | AS-19717 | DTXSID90743378 | 6-B

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

1H-Pyrazolo[4, 3-c]pyridine, 6-broMo- | SCHEMBL16339586 | AKOS016003702 | 6-Bromo-1H-pyrazolo[4, 3-c]pyridine | PB34836 | BBL102983 | BCP09518 | SCHEMBL17504827 | 1206973-12-7 | A851461 | 1H-PYRAZOLO[4, 3-C]PYRIDINE, 6-BROMO- | AS-19717 | DTXSID90743378 | 6-B

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488202160
• Canonical Smiles: C1=C2C(=CN=C1Br)C=NN2
• IUPAC Name: 6-bromo-1H-pyrazolo[4,3-c]pyridine
• InChIKey: PGKALOYNTWMFKJ-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrN3/c7-6-1-5-4(2-8-6)3-9-10-5/h1-3H,(H,9,10)
• Isomeric SMILES: C1=C2C(=CN=C1Br)C=NN2
• Molecular Weight: 198.02
• Reaxy-Rn: 27647849
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27647849&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-halopyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 198.020 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.959 Da
• Monoisotopic Mass: 196.959 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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