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6-bromo-1H-pyrazolo[4,3-b]pyridine-3-carboxylic acid - 97%, high purity , CAS No.1363382-29-9
Discover 6-bromo-1H-pyrazolo[4,3-b]pyridine-3-carboxylic acid by Aladdin Scientific in 97% for only $2,919.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
6-BROMO-1H-PYRAZOLO[4,3-B]PYRIDINE-3-CARBOXYLIC ACID | 1363382-29-9 | 1H-Pyrazolo[4,3-b]pyridine-3-carboxylic acid, 6-bromo- | DTXSID201208093 | AKOS024167658 | PB37203 | SB19856 | AS-51561 | CS-0050312 | P12950 | 6-BROMO-1H-PYRAZOLO[4,3-B]PYRIDINE-3-CARBOXYLICACID
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 Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolopyridine - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organooxygen 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
6-bromo-1H-pyrazolo[4,3-b]pyridine-3-carboxylic acid
INCHI
InChI=1S/C7H4BrN3O2/c8-3-1-4-5(9-2-3)6(7(12)13)11-10-4/h1-2H,(H,10,11)(H,12,13)
InChIKey
IZKLWDBZQAFKJY-UHFFFAOYSA-N
Smiles
C1=C(C=NC2=C1NN=C2C(=O)O)Br
Isomeric SMILES
C1=C(C=NC2=C1NN=C2C(=O)O)Br
PubChem CID
72207954
Molecular Weight
242.032
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
242.030 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
240.949 Da
Monoisotopic Mass
240.949 Da
Topological Polar Surface Area
78.900 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
226.000
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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