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methyl 1H-pyrazolo[4,3-b]pyridine-6-carboxylate - 97%, high purity
Basic Description
Synonyms
METHYL 1H-PYRAZOLO[4,3-B]PYRIDINE-6-CARBOXYLATE | 1301214-72-1 | 1H-Pyrazolo[4,3-b]pyridine-6-carboxylic acid, methyl ester | 1H-PYRAZOLO[4,3-B]PYRIDINE-6-CARBOXYLIC ACID METHYL ESTER | SCHEMBL1894052 | DTXSID40733688 | AQDFNXASXNIENA-UHFFFAOYSA-N | AMY35302 | BCC21472 | M
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
Pyridinecarboxylic acids Pyrazoles Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Pyrazolopyridine - Pyridine - Azole - Pyrazole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - 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
methyl 1H-pyrazolo[4,3-b]pyridine-6-carboxylate
INCHI
InChI=1S/C8H7N3O2/c1-13-8(12)5-2-6-7(9-3-5)4-10-11-6/h2-4H,1H3,(H,10,11)
InChIKey
AQDFNXASXNIENA-UHFFFAOYSA-N
Smiles
COC(=O)C1=CC2=C(C=NN2)N=C1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
177.160 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
177.054 Da
Monoisotopic Mass
177.054 Da
Topological Polar Surface Area
67.900 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
210.000
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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