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3-Bromo-2-isobutoxy-5-methylpyridine - 95%, high purity , CAS No.1255574-44-7
Basic Description
Synonyms
3-BROMO-2-ISOBUTOXY-5-METHYLPYRIDINE | 1255574-44-7 | 3-bromo-5-methyl-2-(2-methylpropoxy)pyridine | DTXSID70682453 | MFCD17926522 | AKOS015834407 | BS-19680 | CS-0211069 | A890176 | Pyridine, 3-bromo-5-methyl-2-(2-methylpropoxy)-
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
Methylpyridines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Methylpyridine - Alkyl aryl ether - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - 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
IUPAC Name
3-bromo-5-methyl-2-(2-methylpropoxy)pyridine
INCHI
InChI=1S/C10H14BrNO/c1-7(2)6-13-10-9(11)4-8(3)5-12-10/h4-5,7H,6H2,1-3H3
InChIKey
DKFRYGABMPQDQQ-UHFFFAOYSA-N
Smiles
CC1=CC(=C(N=C1)OCC(C)C)Br
Isomeric SMILES
CC1=CC(=C(N=C1)OCC(C)C)Br
PubChem CID
53217412
Molecular Weight
244.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
244.130 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
243.026 Da
Monoisotopic Mass
243.026 Da
Topological Polar Surface Area
22.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
152.000
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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