5-Methylpyridine-2-boronic acid(contains varying amounts of Anhydride) - ≥95% , CAS No.372963-49-0

CAS: 372963-49-0 Cat. No.: M123313 Molecular Weight: 136.95 EC Number: 689-059-7

GRADE & PURITY ≥95%

Synonyms

5-methylpyridine-2-boronic acid, AldrichCPR | 2-cyanophenylboronic?acid | EN300-155098 | AC-16667 | AB06946 | (5-methylpyridin-2-yl)boronicAcid | SCHEMBL200776 | 5-Methyl-2-pyridineboronic acid | DTXSID80376412 | J-517769 | MFCD00674179 | A823589 | F10369

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

5-methylpyridine-2-boronic acid, AldrichCPR | 2-cyanophenylboronic?acid | EN300-155098 | AC-16667 | AB06946 | (5-methylpyridin-2-yl)boronicAcid | SCHEMBL200776 | 5-Methyl-2-pyridineboronic acid | DTXSID80376412 | J-517769 | MFCD00674179 | A823589 | F10369

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: B(C1=NC=C(C=C1)C)(O)O
• IUPAC Name: (5-methylpyridin-2-yl)boronic acid
• InChIKey: VDRIXWWGBDNWCM-UHFFFAOYSA-N
• INCHI: 1S/C6H8BNO2/c1-5-2-3-6(7(9)10)8-4-5/h2-4,9-10H,1H3
• Isomeric SMILES: B(C1=NC=C(C=C1)C)(O)O
• Molecular Weight: 136.95
• Reaxy-Rn: 20003122
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20003122&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organoboron 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 86-90°C
• Molecular Weight: 136.950 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 137.065 Da
• Monoisotopic Mass: 137.065 Da
• Topological Polar Surface Area: 53.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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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