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4-bromo-1H-pyrazolo[4,3-c]pyridine - 97%, high purity , CAS No.1159829-63-6
Discover 4-bromo-1H-pyrazolo[4,3-c]pyridine by Aladdin Scientific in 97% for only $148.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-Bromo-1H-pyrazolo[4,3-c]pyridine | 1159829-63-6 | 1h-pyrazolo[4,3-c]pyridine, 4-bromo- | MFCD12401001 | SCHEMBL20595731 | DTXSID70745411 | AKOS024015492 | 1h-pyrazolo[4,3-c]pyridine,4-bromo- | PB28426 | AS-30632 | SY069197 | CS-0051011 | FT-0714139 | EN300-3193299 | A893695
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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.
Names and Identifiers
IUPAC Name
4-bromo-1H-pyrazolo[4,3-c]pyridine
INCHI
InChI=1S/C6H4BrN3/c7-6-4-3-9-10-5(4)1-2-8-6/h1-3H,(H,9,10)
InChIKey
OPTKCRUGKAZNCI-UHFFFAOYSA-N
Smiles
C1=CN=C(C2=C1NN=C2)Br
Isomeric SMILES
C1=CN=C(C2=C1NN=C2)Br
Molecular Weight
198.023
Reaxy-Rn
58446091
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=58446091&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
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
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