6-Bromooxazolo[4,5-b]pyridine - ≥95% , CAS No.1260863-86-2

CAS: 1260863-86-2 Cat. No.: B180760 Molecular Weight: 199.00 EC Number: 819-156-3

GRADE & PURITY ≥95%

Synonyms

AMY28771 | SCHEMBL621671 | 6-bromo-[1,3]oxazolo[4,5-b]pyridine | 6-Bromo[1,3]oxazolo[4,5-b]pyridine | oxazolo[4,5-b]pyridine, 6-bromo- | DTXSID40620887 | 6-bromo-oxazolo[4,5-b]pyridine | 6-Bromooxazolo[4,5-b]pyridine | LUCOFXKHJMMXQZ-UHFFFAOYSA-N | MFCD13

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AMY28771 | SCHEMBL621671 | 6-bromo-[1, 3]oxazolo[4, 5-b]pyridine | 6-Bromo[1, 3]oxazolo[4, 5-b]pyridine | oxazolo[4, 5-b]pyridine, 6-bromo- | DTXSID40620887 | 6-bromo-oxazolo[4, 5-b]pyridine | 6-Bromooxazolo[4, 5-b]pyridine | LUCOFXKHJMMXQZ-UHFFFAOYSA-N | MFCD13

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=C(C=NC2=C1OC=N2)Br
• IUPAC Name: 6-bromo-[1,3]oxazolo[4,5-b]pyridine
• InChIKey: LUCOFXKHJMMXQZ-UHFFFAOYSA-N
• INCHI: 1S/C6H3BrN2O/c7-4-1-5-6(8-2-4)9-3-10-5/h1-3H
• Isomeric SMILES: C1=C(C=NC2=C1OC=N2)Br
• Molecular Weight: 199.00
• Reaxy-Rn: 21189334
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21189334&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazolopyridines
• Alternative Parents: Pyridines and derivatives Aryl bromides Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-oxazolopyridine - Aryl bromide - Aryl halide - Pyridine - Azole - Heteroaromatic compound - Oxazole - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as oxazolopyridines. These are polycyclic compounds containing an oxazole ring fused to a pyridine ring.
• 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: 199.000 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 197.943 Da
• Monoisotopic Mass: 197.943 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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