methyl 4-chloropyrazolo[1,5-a]pyridine-3-carboxylate - ≥97% , CAS No.1167056-15-6

CAS: 1167056-15-6 Cat. No.: M627085 Molecular Weight: 210.62 PubChem CID: 53399591

GRADE & PURITY ≥97%

Synonyms

SB30971 | A893525 | 1167056-15-6 | SY321457 | 4-Chloro-methyl pyrazolo[1,5-a]pyridine-3-carboxylate | DTXSID801221178 | 4-Chloro-pyrazolo[1,5-a]pyridine-3-carboxylic acid methyl ester | methyl 4-chloropyrazolo[1,5-a]pyridine-3-carboxylate | methyl4-chloro

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SB30971 | A893525 | 1167056-15-6 | SY321457 | 4-Chloro-methyl pyrazolo[1, 5-a]pyridine-3-carboxylate | DTXSID801221178 | 4-Chloro-pyrazolo[1, 5-a]pyridine-3-carboxylic acid methyl ester | methyl 4-chloropyrazolo[1, 5-a]pyridine-3-carboxylate | methyl4-chloro

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C1=C2C(=CC=CN2N=C1)Cl
• IUPAC Name: methyl 4-chloropyrazolo[1,5-a]pyridine-3-carboxylate
• InChIKey: JZSLHWOPNFSRLT-UHFFFAOYSA-N
• INCHI: 1S/C9H7ClN2O2/c1-14-9(13)6-5-11-12-4-2-3-7(10)8(6)12/h2-5H,1H3
• Isomeric SMILES: COC(=O)C1=C2C(=CC=CN2N=C1)Cl
• Alternate CAS: 1167056-15-6
• PubChem CID: 53399591
• Molecular Weight: 210.62

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 Aryl chlorides Vinylogous amides Methyl esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolopyridine - Pyrazole-4-carboxylic acid or derivatives - Aryl chloride - Aryl halide - Pyridine - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - 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

• Molecular Weight: 210.620 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 210.02 Da
• Monoisotopic Mass: 210.02 Da
• Topological Polar Surface Area: 43.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 237.000
• 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