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2-Chloro-3-(dimethoxymethyl)isonicotinonitrile , CAS No.1186310-98-4
Discover 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile by Aladdin Scientific in for only $605.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-Chloro-3-(dimethoxymethyl)isonicotinonitrile | 1186310-98-4 | 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile, AldrichCPR | MFCD12922734 | DTXSID90674052 | 2-chloro-3-(dimethoxymethyl)pyridine-4-carbonitrile | AKOS015848847
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 Nitriles Azacyclic compounds Acetals Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Acetal - Carbonitrile - Nitrile - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organic oxygen 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)pyridine-4-carbonitrile
INCHI
InChI=1S/C9H9ClN2O2/c1-13-9(14-2)7-6(5-11)3-4-12-8(7)10/h3-4,9H,1-2H3
InChIKey
GJWYBPKJLNAJEQ-UHFFFAOYSA-N
Smiles
COC(C1=C(C=CN=C1Cl)C#N)OC
Isomeric SMILES
COC(C1=C(C=CN=C1Cl)C#N)OC
WGK Germany
3
PubChem CID
46737859
Molecular Weight
212.63
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
212.630 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
212.035 Da
Monoisotopic Mass
212.035 Da
Topological Polar Surface Area
55.100 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
224.000
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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