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4-Allyl-2-chloro-3-(dimethoxymethyl)pyridine - 95%, high purity , CAS No.1186310-69-9
Discover 4-Allyl-2-chloro-3-(dimethoxymethyl)pyridine by Aladdin Scientific in 95% for only $1,175.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-Allyl-2-chloro-3-(dimethoxymethyl)pyridine | 1186310-69-9 | 2-chloro-3-(dimethoxymethyl)-4-prop-2-enylpyridine | DTXSID201207738 | MFCD12922752 | AKOS015838909 | CS-0441894 | 2-Chloro-3-(dimethoxymethyl)-4-(2-propen-1-yl)pyridine | 4-Allyl-2-chloro-3-(dimethoxymethyl)p
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Halopyridines
Intermediate Tree Nodes
Not available
Direct Parent
2-halopyridines
Alternative Parents
Aryl chlorides Heteroaromatic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halopyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
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
IUPAC Name
2-chloro-3-(dimethoxymethyl)-4-prop-2-enylpyridine
INCHI
InChI=1S/C11H14ClNO2/c1-4-5-8-6-7-13-10(12)9(8)11(14-2)15-3/h4,6-7,11H,1,5H2,2-3H3
InChIKey
ACMZFZNXZXPSLQ-UHFFFAOYSA-N
Smiles
COC(C1=C(C=CN=C1Cl)CC=C)OC
Isomeric SMILES
COC(C1=C(C=CN=C1Cl)CC=C)OC
PubChem CID
46737872
Molecular Weight
227.7
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
227.690 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
227.071 Da
Monoisotopic Mass
227.071 Da
Topological Polar Surface Area
31.400 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
197.000
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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