Methyl 5-bromo-2-hydroxyisonicotinate - ≥98% , CAS No.913836-17-6

CAS: 913836-17-6 Cat. No.: M188136 Summenformel: C₇H₆BrNO₃ Molekulargewicht: 232.03 EG-Nummer: 685-572-5

GRADE & PURITY ≥98%

Synonyms

Methyl 5-Bromo-2-hydroxypyridine-4-carboxylate | MFCD09027265 | methyl 5-bromo-2-oxo-1H-pyridine-4-carboxylate | METHYL 5-BROMO-2-HYDROXYISONICOTINATE | methyl 5-bromo-2-oxo-1,2-dihydropyridine-4-carboxylate | Methyl5-Bromo-2-Hydroxyisonicotinate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

Methyl 5-Bromo-2-hydroxypyridine-4-carboxylate | MFCD09027265 | methyl 5-bromo-2-oxo-1H-pyridine-4-carboxylate | METHYL 5-BROMO-2-HYDROXYISONICOTINATE | methyl 5-bromo-2-oxo-1,2-dihydropyridine-4-carboxylate | Methyl5-Bromo-2-Hydroxyisonicotinate

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528761720
• Kanonisches Lächeln: COC(=O)C1=CC(=O)NC=C1Br
• IUPAC Name: methyl 5-bromo-2-oxo-1H-pyridine-4-carboxylate
• InChIKey: XOMMLGBSSAVOET-UHFFFAOYSA-N
• INCHI: 1S/C7H6BrNO3/c1-12-7(11)4-2-6(10)9-3-5(4)8/h2-3H,1H3,(H,9,10)
• Isomere SMILES: COC(=O)C1=CC(=O)NC=C1Br
• Molekulargewicht: 232.03
• Reaxy-Rn: 20251230
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20251230&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Dihydropyridinecarboxylic acids and derivatives Pyridinones Aryl bromides Vinylogous halides Methyl esters Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Dihydropyridine - Pyridinone - Aryl bromide - Aryl halide - Hydropyridine - Heteroaromatic compound - Vinylogous halide - Methyl ester - Lactam - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 232.030 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 230.953 Da
• Monoisotopic Mass: 230.953 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 293.000
• 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