Dimethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate - ≥97% , CAS No.5825-71-8

CAS: 5825-71-8 Cat. No.: D185360 Molecular Weight: 234.21 EC Number: 893-794-0

GRADE & PURITY ≥97%

Synonyms

FT-0651137 | SCHEMBL1662696 | AS-42040 | F2199-0082 | MFCD06411548 | SY004702 | dimethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate | AMY20458 | A869492 | DTXSID20383266 | AKOS015903996 | methyl 2-(methoxycarbonyl)pyrazolo[1,5-a]pyridine-3-carboxylate | Py

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

FT-0651137 | SCHEMBL1662696 | AS-42040 | F2199-0082 | MFCD06411548 | SY004702 | dimethyl pyrazolo[1, 5-a]pyridine-2, 3-dicarboxylate | AMY20458 | A869492 | DTXSID20383266 | AKOS015903996 | methyl 2-(methoxycarbonyl)pyrazolo[1, 5-a]pyridine-3-carboxylate | Py

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C1=C2C=CC=CN2N=C1C(=O)OC
• IUPAC Name: dimethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
• InChIKey: NZJIUQJPKXRRHB-UHFFFAOYSA-N
• INCHI: 1S/C11H10N2O4/c1-16-10(14)8-7-5-3-4-6-13(7)12-9(8)11(15)17-2/h3-6H,1-2H3
• Isomeric SMILES: COC(=O)C1=C2C=CC=CN2N=C1C(=O)OC
• Molecular Weight: 234.21
• Reaxy-Rn: 889069
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=889069&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrazolopyridines

• 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 Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolopyridine - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Pyrazole-4-carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Pyridine - Azole - Pyrazole - Heteroaromatic compound - Methyl ester - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 234.210 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 234.064 Da
• Monoisotopic Mass: 234.064 Da
• Topological Polar Surface Area: 69.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 321.000
• 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