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ethyl 2-(5-hydroxypyridin-2-yl)acetate - 97%, high purity , CAS No.132807-30-8
Basic Description
Synonyms
132807-30-8 | ETHYL 2-(5-HYDROXYPYRIDIN-2-YL)ACETATE | ETHYL 5-HYDROXYPYRIDINE-2-ACETATE | Ethyl 5-hydroxypyridine-2... | 2-Pyridineacetic acid, 5-hydroxy-, ethyl ester | SCHEMBL14677406 | DTXSID10725595 | IYVKIIBOBRYNGK-UHFFFAOYSA-N | MFCD20922910 | AKOS025290705 | Ethyl (5
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydroxypyridines
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxypyridines
Alternative Parents
Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydroxypyridine - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxypyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a hydroxyl 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
ethyl 2-(5-hydroxypyridin-2-yl)acetate
INCHI
InChI=1S/C9H11NO3/c1-2-13-9(12)5-7-3-4-8(11)6-10-7/h3-4,6,11H,2,5H2,1H3
InChIKey
IYVKIIBOBRYNGK-UHFFFAOYSA-N
Smiles
CCOC(=O)CC1=NC=C(C=C1)O
Isomeric SMILES
CCOC(=O)CC1=NC=C(C=C1)O
Molecular Weight
181.191
Reaxy-Rn
4180524
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4180524&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
181.190 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
181.074 Da
Monoisotopic Mass
181.074 Da
Topological Polar Surface Area
59.400 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
172.000
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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