2-(1,3-Dioxolan-2-yl)pyridine-5-boronic acid - ≥96% , CAS No.1072952-38-5

CAS: 1072952-38-5 Cat. No.: D179235 Molecular Weight: 195

GRADE & PURITY ≥96%

Synonyms

AB25952 | [6-(1,3-Dioxolan-2-yl)pyridin-3-yl]boronic acid | AKOS006295366 | SY255253 | CHBZOUJAMDSHIH-UHFFFAOYSA-N | 2-(1,3-DIOXOLAN-2-YL)PYRIDINE-5-BORONIC ACID | FT-0690560 | 2-(1,3-Dioxolan-2-yl)pyridine-5-boronicacid | DTXSID80660540 | FD10228 | MFCD0

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AB25952 | [6-(1, 3-Dioxolan-2-yl)pyridin-3-yl]boronic acid | AKOS006295366 | SY255253 | CHBZOUJAMDSHIH-UHFFFAOYSA-N | 2-(1, 3-DIOXOLAN-2-YL)PYRIDINE-5-BORONIC ACID | FT-0690560 | 2-(1, 3-Dioxolan-2-yl)pyridine-5-boronicacid | DTXSID80660540 | FD10228 | MFCD0

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Canonical Smiles: B(C1=CN=C(C=C1)C2OCCO2)(O)O
• IUPAC Name: [6-(1,3-dioxolan-2-yl)pyridin-3-yl]boronic acid
• InChIKey: CHBZOUJAMDSHIH-UHFFFAOYSA-N
• INCHI: 1S/C8H10BNO4/c11-9(12)6-1-2-7(10-5-6)8-13-3-4-14-8/h1-2,5,8,11-12H,3-4H2
• Isomeric SMILES: B(C1=CN=C(C=C1)C2OCCO2)(O)O
• Molecular Weight: 195
• Reaxy-Rn: 24023179
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24023179&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds 1,3-dioxolanes Boronic acids Oxacyclic compounds Organic metalloid salts Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Meta-dioxolane - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Acetal - Oxacycle - Azacycle - Organic metalloid salt - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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: 194.980 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 195.07 Da
• Monoisotopic Mass: 195.07 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 186.000
• 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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