5-bromo-2-morpholinocarbonylpyridine - ≥98% , CAS No.957063-06-8

CAS: 957063-06-8 Cat. No.: B188788 Summenformel: C₁₀H₁₁BrN₂O₂ Molekulargewicht: 271.1 EG-Nummer: 640-938-3

GRADE & PURITY ≥98%

Synonyms

(5-Bromo-2-pyridyl)(morpholino)methanone | (5-Bromopyridin-2-yl)(morpholin-4-yl)methanone | FT-0744112 | 5-bromo-2-morpholinocarbonylpyridine | 5-Bromo-2-morpholinocarbonylpyridine???? | (5-bromo-pyridin-2-yl)-morpholin-4-yl-methanone | (5-bromopyridin-2-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

(5-Bromo-2-pyridyl)(morpholino)methanone | (5-Bromopyridin-2-yl)(morpholin-4-yl)methanone | FT-0744112 | 5-bromo-2-morpholinocarbonylpyridine | 5-Bromo-2-morpholinocarbonylpyridine???? | (5-bromo-pyridin-2-yl)-morpholin-4-yl-methanone | (5-bromopyridin-2-

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

C1COCCN1C(=O)C2=NC=C(C=C2)Br

IUPAC Name

(5-bromopyridin-2-yl)-morpholin-4-ylmethanone

InChIKey

WTHVKZJDIPQZNG-UHFFFAOYSA-N

INCHI

1S/C10H11BrN2O2/c11-8-1-2-9(12-7-8)10(14)13-3-5-15-6-4-13/h1-2,7H,3-6H2

Isomere SMILES

C1COCCN1C(=O)C2=NC=C(C=C2)Br

Molekulargewicht

271.1

Reaxy-Rn

14355340

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14355340&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholine carboxylic acids and derivatives
• Alternative Parents: Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Morpholine-4-carboxylic acid or derivatives - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as morpholine carboxylic acids and derivatives. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups (or derivative thereof).
• 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: 271.110 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 270 Da
• Monoisotopic Mass: 270 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 231.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 957063-06-8, the molecular formula is C10H11BrN2O2, and the molecular weight is 271.1 g/mol. InChIKey WTHVKZJDIPQZNG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.