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Methyl 4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate - 97%, high purity , CAS No.1802489-64-0
Basic Description
Synonyms
Methyl 4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate | 1802489-64-0 | Pyrazolo[1,5-a]pyridine-3-carboxylic acid, 4-fluoro-, methyl ester | DTXSID901165997 | MFCD28975311 | AKOS025290477 | DS-9551 | CS-0042881 | C73443 | Methyl4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
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
Pyrazole carboxylic acids and derivatives Pyridines and derivatives Aryl fluorides Vinylogous amides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolopyridine - Pyrazole-4-carboxylic acid or derivatives - Aryl fluoride - Aryl halide - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - 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.
Names and Identifiers
Pubchem Sid
504772677
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504772677
IUPAC Name
methyl 4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
INCHI
InChI=1S/C9H7FN2O2/c1-14-9(13)6-5-11-12-4-2-3-7(10)8(6)12/h2-5H,1H3
InChIKey
IAJNMQKICSFNKH-UHFFFAOYSA-N
Smiles
COC(=O)C1=C2C(=CC=CN2N=C1)F
Isomeric SMILES
COC(=O)C1=C2C(=CC=CN2N=C1)F
PubChem CID
91825765
Molecular Weight
194.16
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
194.160 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
194.049 Da
Monoisotopic Mass
194.049 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
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L2416442