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tert-butyl 3-bromo-1H-pyrazolo[3,4-b]pyridine-1-carboxylate - 97%, high purity
Basic Description
Synonyms
1234616-46-6 | tert-butyl 3-bromo-1H-pyrazolo[3,4-b]pyridine-1-carboxylate | 1-BOC-3-BROMO-1H-PYRAZOLO[3,4-B]PYRIDINE | tert-butyl 3-bromopyrazolo[3,4-b]pyridine-1-carboxylate | 1-Boc-3-bromo-1H-pyrazolo... | MFCD17016052 | 1H-pyrazolo[3,4-b]pyridine-1-carboxylic aci
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrazolopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazolopyridines
Alternative Parents
Pyrazole carboxylic acids and derivatives Pyridines and derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolopyridine - Pyrazole-1-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Pyridine - Azole - Pyrazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen 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.
Names and Identifiers
IUPAC Name
tert-butyl 3-bromopyrazolo[3,4-b]pyridine-1-carboxylate
INCHI
InChI=1S/C11H12BrN3O2/c1-11(2,3)17-10(16)15-9-7(8(12)14-15)5-4-6-13-9/h4-6H,1-3H3
InChIKey
UXDVHLTUWUHLQE-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1C2=C(C=CC=N2)C(=N1)Br
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
298.140 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
297.011 Da
Monoisotopic Mass
297.011 Da
Topological Polar Surface Area
57.000 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
306.000
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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