Isoxazolo[5,4-b]pyridin-3-amine - ≥95% , CAS No.92914-74-4

CAS: 92914-74-4 Cat. No.: I341284 Molecular Weight: 135.13 EC Number: 862-831-2

GRADE & PURITY ≥95%

Synonyms

MFCD04117798 | BB 0218932 | SCHEMBL1724585 | J-521614 | 2X-0710 | US10888567, Compound 2 | F2135-0802 | isoxazolo[5,4-b]pyridin-3-amine | isoxazolo[5,4-b]pyridin-3-ylamine | AKOS000275386 | EN300-88546 | BDBM477106 | STK506283 | [1,2]oxazolo[5,4-b]pyridin

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

MFCD04117798 | BB 0218932 | SCHEMBL1724585 | J-521614 | 2X-0710 | US10888567, Compound 2 | F2135-0802 | isoxazolo[5, 4-b]pyridin-3-amine | isoxazolo[5, 4-b]pyridin-3-ylamine | AKOS000275386 | EN300-88546 | BDBM477106 | STK506283 | [1, 2]oxazolo[5, 4-b]pyridin

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

• Pubchem Sid: 488193371
• Canonical Smiles: C1=CC2=C(N=C1)ON=C2N
• IUPAC Name: [1,2]oxazolo[5,4-b]pyridin-3-amine
• InChIKey: NIHLEQFZWNKMEY-UHFFFAOYSA-N
• INCHI: 1S/C6H5N3O/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H2,7,9)
• Isomeric SMILES: C1=CC2=C(N=C1)ON=C2N
• Molecular Weight: 135.13
• Reaxy-Rn: 5504879
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5504879&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoxazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoxazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoxazolopyridines
• Alternative Parents: Pyridines and derivatives Imidolactams Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,2-oxazolopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Isoxazole - Azole - Oxacycle - Azacycle - Hydrocarbon derivative - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoxazolopyridines. These are aromatic compounds containing an isoxazole ring fused to a pyridine ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

• Boil Point(°C): 336.6°C at 760 mmHg
• Molecular Weight: 135.120 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 135.043 Da
• Monoisotopic Mass: 135.043 Da
• Topological Polar Surface Area: 64.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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