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5-fluoro-1H-pyrazolo[3,4-b]pyridine-3-carbaldehyde - 97%, high purity , CAS No.1256785-09-7
Basic Description
Synonyms
5-Fluoro-1H-pyrazolo[3,4-b]pyridine-3-carbaldehyde | 1256785-09-7 | 5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carbaldehyde | DTXSID50856892 | AMY33927 | MFCD18261245 | AKOS022174006 | SB11529 | AS-33979 | CS-0050483 | 5-fluoro-1h-pyrazolo[3,4-b]pyridine-3-carboxaldehyde
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
Aryl-aldehydes Pyridines and derivatives Aryl fluorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolopyridine - Aryl-aldehyde - Aryl fluoride - Aryl halide - Pyridine - Azole - Pyrazole - Heteroaromatic compound - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aldehyde - Organic oxygen compound - 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.
Names and Identifiers
IUPAC Name
5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carbaldehyde
INCHI
InChI=1S/C7H4FN3O/c8-4-1-5-6(3-12)10-11-7(5)9-2-4/h1-3H,(H,9,10,11)
InChIKey
XXWYUZZHWWDYPU-UHFFFAOYSA-N
Smiles
C1=C(C=NC2=NNC(=C21)C=O)F
Isomeric SMILES
C1=C(C=NC2=NNC(=C21)C=O)F
PubChem CID
71721034
Molecular Weight
165.127
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
165.120 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
165.034 Da
Monoisotopic Mass
165.034 Da
Topological Polar Surface Area
58.600 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
189.000
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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