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5-Chloro-3-(dimethoxymethyl)-2-methoxypyridine - 95%, high purity , CAS No.1261365-50-7
Basic Description
Synonyms
5-Chloro-3-(dimethoxymethyl)-2-methoxypyridine | 1261365-50-7 | DTXSID50679109 | MFCD18374108 | AKOS015848885 | FT-0716858 | F81871 | 5-Chloro-3-(dimethoxymethyl)-2-methoxypyridine, AldrichCPR
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Alkyl aryl ethers
Alternative Parents
Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl aryl ether - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Acetal - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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
Pubchem Sid
504770986
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504770986
IUPAC Name
5-chloro-3-(dimethoxymethyl)-2-methoxypyridine
INCHI
InChI=1S/C9H12ClNO3/c1-12-8-7(9(13-2)14-3)4-6(10)5-11-8/h4-5,9H,1-3H3
InChIKey
JGQLXELFERSKEH-UHFFFAOYSA-N
Smiles
COC1=C(C=C(C=N1)Cl)C(OC)OC
Isomeric SMILES
COC1=C(C=C(C=N1)Cl)C(OC)OC
PubChem CID
50989170
Molecular Weight
217.7
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
217.650 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
217.051 Da
Monoisotopic Mass
217.051 Da
Topological Polar Surface Area
40.600 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
166.000
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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G2228641