2-Ethoxy-5-methylpyridine-3-boronic acid - ≥98% , CAS No.1162256-87-2

CAS: 1162256-87-2 Cat. No.: E179760 Molecular Weight: 181

GRADE & PURITY ≥98%

Synonyms

2-ETHOXY-5-METHYLPYRIDINE-3-BORONIC ACID | AT15069 | 2-ETHOXY-5-METHYLPYRIDIN-3-YLBORONIC ACID | 1162256-87-2 | DTXSID20681734 | BS-19270 | AKOS015838995 | Boronic acid, B-(2-ethoxy-5-methyl-3-pyridinyl)- | (2-Ethoxy-5-methylpyridin-3-yl)boronicacid | (2-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-ETHOXY-5-METHYLPYRIDINE-3-BORONIC ACID | AT15069 | 2-ETHOXY-5-METHYLPYRIDIN-3-YLBORONIC ACID | 1162256-87-2 | DTXSID20681734 | BS-19270 | AKOS015838995 | Boronic acid, B-(2-ethoxy-5-methyl-3-pyridinyl)- | (2-Ethoxy-5-methylpyridin-3-yl)boronicacid | (2-

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: B(C1=CC(=CN=C1OCC)C)(O)O
• IUPAC Name: (2-ethoxy-5-methylpyridin-3-yl)boronic acid
• InChIKey: YABYKZFYIQYKMI-UHFFFAOYSA-N
• INCHI: 1S/C8H12BNO3/c1-3-13-8-7(9(11)12)4-6(2)5-10-8/h4-5,11-12H,3H2,1-2H3
• Isomeric SMILES: B(C1=CC(=CN=C1OCC)C)(O)O
• Molecular Weight: 181
• Reaxy-Rn: 35644640
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35644640&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• 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 Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 181.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 181.091 Da
• Monoisotopic Mass: 181.091 Da
• Topological Polar Surface Area: 62.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 156.000
• 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

XLogP3

References

1. Zhikun Yang, Mingrui Li, Yanxiao Li, Xiaowei Huang, Zhihua Li, Xiaodong Zhai, Jiyong Shi, Xiaobo Zou, Jianbo Xiao, Yue Sun, Megan Povey, Yunyun Gong, Melvin Holmes.  (2023)  Sodium alginate/guar gum based nanocomposite film incorporating β-Cyclodextrin/persimmon pectin-stabilized baobab seed oil Pickering emulsion for mushroom preservation.  FOOD CHEMISTRY,      [PMID:37922795] [10.1016/j.foodchem.2023.137891]

2. Shangmin Yu, Xinying Wang, Linlin Lv, Tongyan Liu, Qingxiang Guan.  (2023)  Borneol-modified PEGylated graphene oxide as a nanocarrier for brain-targeted delivery of ginsenoside Rg1 against depression.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:37527732] [10.1016/j.ijpharm.2023.123284]

3. Hui Song, Man Wei, Nan Zhang, He Li, Xiaochuan Tan, Yujia Zhang, Wensheng Zheng.  (2018)  Enhanced permeability of blood–brain barrier and targeting function of brain via borneol-modified chemically solid lipid nanoparticle.  International Journal of Nanomedicine,      [PMID:29636606] [10.2147/IJN.S161237]

4. Fengqin Li, Jingjie Zhou, Chunyu Wang, Yukai Wang, Ke Zhang, Jinyuan Sun, Huibin Liang, Yuqi Liu, Tao Geng.  (2025)  Synthesis and high performance liquid chromatographic analysis of butoxylation byproducts.  JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES,      [PMID:] [10.1080/10826076.2025.2475280]