Ethyl 5-methoxypyrazolo[1,5-a]pyridine-3-carboxylate - ≥98% , CAS No.99446-53-4

CAS: 99446-53-4 Cat. No.: E339465 Molecular Weight: 220.22

GRADE & PURITY ≥98%

Synonyms

MFCD06739194 | ETHYL 5-METHOXYH-PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLATE | AMY30445 | 5-METHOXY-PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER | AB28831 | AKOS016003470 | DTXSID90542828 | HSPHWUOHGCUYBO-UHFFFAOYSA-N | AS-35713 | SCHEMBL3084426 | FT-07

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

MFCD06739194 | ETHYL 5-METHOXYH-PYRAZOLO[1, 5-A]PYRIDINE-3-CARBOXYLATE | AMY30445 | 5-METHOXY-PYRAZOLO[1, 5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER | AB28831 | AKOS016003470 | DTXSID90542828 | HSPHWUOHGCUYBO-UHFFFAOYSA-N | AS-35713 | SCHEMBL3084426 | FT-07

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767425
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767425
• Canonical Smiles: CCOC(=O)C1=C2C=C(C=CN2N=C1)OC
• IUPAC Name: ethyl 5-methoxypyrazolo[1,5-a]pyridine-3-carboxylate
• InChIKey: HSPHWUOHGCUYBO-UHFFFAOYSA-N
• INCHI: 1S/C11H12N2O3/c1-3-16-11(14)9-7-12-13-5-4-8(15-2)6-10(9)13/h4-7H,3H2,1-2H3
• Isomeric SMILES: CCOC(=O)C1=C2C=C(C=CN2N=C1)OC
• Molecular Weight: 220.22
• Reaxy-Rn: 18965821
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18965821&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 Alkyl aryl ethers Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolopyridine - Pyrazole-4-carboxylic acid or derivatives - Alkyl aryl ether - Pyridine - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 220.220 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 220.085 Da
• Monoisotopic Mass: 220.085 Da
• Topological Polar Surface Area: 52.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 260.000
• 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