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3-iodo-1H-pyrazolo[3,4-c]pyridine - 97%, high purity , CAS No.1082040-63-8
Discover 3-iodo-1H-pyrazolo[3,4-c]pyridine by Aladdin Scientific in 97% for only $83.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3-iodo-1h-pyrazolo[3,4-c]pyridine | 1082040-63-8 | 4-c]pyridine | 3-iodo-2H-pyrazolo[3,4-c]pyridine | MFCD11845480 | SCHEMBL12311284 | AMY7316 | DTXSID60694621 | BFJMHTOBRRZELQ-UHFFFAOYSA-N | AKOS015892280 | CS-W003796 | DS-6762 | PB31596 | SY030027 | A895340
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridines and derivatives
Alternative Parents
Aryl iodides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridine - Aryl iodide - Aryl halide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon 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
3-iodo-2H-pyrazolo[3,4-c]pyridine
INCHI
InChI=1S/C6H4IN3/c7-6-4-1-2-8-3-5(4)9-10-6/h1-3H,(H,9,10)
InChIKey
BFJMHTOBRRZELQ-UHFFFAOYSA-N
Smiles
C1=CN=CC2=NNC(=C21)I
Isomeric SMILES
C1=CN=CC2=NNC(=C21)I
PubChem CID
53399429
Molecular Weight
245.023
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
245.020 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
244.945 Da
Monoisotopic Mass
244.945 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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