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methyl 1H-pyrazolo[4,3-c]pyridine-3-carboxylate - 97%, high purity
Discover methyl 1H-pyrazolo[4,3-c]pyridine-3-carboxylate by Aladdin Scientific in 97% for only $1,398.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
METHYL 1H-PYRAZOLO[4,3-C]PYRIDINE-3-CARBOXYLATE | 1363382-84-6 | 1H-Pyrazolo[4,3-c]pyridine-3-carboxylic acid, methyl ester | MFCD22566128 | SCHEMBL16516965 | XBIMTVWFPWOTEZ-UHFFFAOYSA-N | DTXSID501191415 | AKOS027324902 | PB38045 | SB20035 | AS-51687 | SY244843 | CS-0049239 | P13
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazole carboxylic acids and derivatives
Alternative Parents
Pyridines and derivatives Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.
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-c]pyridine-3-carboxylate
INCHI
InChI=1S/C8H7N3O2/c1-13-8(12)7-5-4-9-3-2-6(5)10-11-7/h2-4H,1H3,(H,10,11)
InChIKey
XBIMTVWFPWOTEZ-UHFFFAOYSA-N
Smiles
COC(=O)C1=NNC2=C1C=NC=C2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
177.160 g/mol
XLogP3
0.700
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
Citations of This Product
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1 Citations