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2,6-dimethylpyridin-3-ol , CAS No.1122-43-6
Basic Description
Synonyms
2,6-Dimethyl-3-hydroxypyridine | 1122-43-6 | 2,6-Dimethylpyridin-3-ol | 2,6-Dimethyl-3-pyridinol | 2,6-Dimethyl-3-oxypyridine | 3-Pyridinol, 2,6-dimethyl- | 3-Hydroxy-2,6-dimethylpyridine | 2,6-Dimethyl-pyridin-3-ol | MFCD00228692 | 7Z5V74623S | NSC-164026 | EINECS 214-348-8 | N
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Methylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Methylpyridines
Alternative Parents
Hydroxypyridines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Methylpyridine - Hydroxypyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl 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
2,6-dimethylpyridin-3-ol
INCHI
InChI=1S/C7H9NO/c1-5-3-4-7(9)6(2)8-5/h3-4,9H,1-2H3
InChIKey
AMQJAKKATFMFTR-UHFFFAOYSA-N
Smiles
CC1=NC(=C(C=C1)O)C
Isomeric SMILES
CC1=NC(=C(C=C1)O)C
Reaxy-Rn
111008
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111008&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
123.150 g/mol
XLogP3
1.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
123.068 Da
Monoisotopic Mass
123.068 Da
Topological Polar Surface Area
33.100 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
94.900
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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