1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one - ≥97% , CAS No.136742-83-1

CAS: 136742-83-1 Cat. No.: H167101 Molecular Weight: 150.13 EC Number: 965-040-1

GRADE & PURITY ≥97%

Synonyms

MFCD01549954 | 1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one, AldrichCPR | 1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one(9CI) | 1H-Pyrido[2,3-b][1,4]oxazin-2-one | AS-42215 | AKOS006277327 | FT-0681668 | Z1198157043 | 1h,2h,3h-pyrido[2,3-b][1,4]oxazin-2-one | 1H-Pyrido[2

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

MFCD01549954 | 1H-Pyrido[2, 3-b][1, 4]oxazin-2(3H)-one, AldrichCPR | 1H-Pyrido[2, 3-b][1, 4]oxazin-2(3H)-one(9CI) | 1H-Pyrido[2, 3-b][1, 4]oxazin-2-one | AS-42215 | AKOS006277327 | FT-0681668 | Z1198157043 | 1h, 2h, 3h-pyrido[2, 3-b][1, 4]oxazin-2-one | 1H-Pyrido[2

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504767978
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767978
• Canonical Smiles: C1C(=O)NC2=C(O1)N=CC=C2
• IUPAC Name: 1H-pyrido[2,3-b][1,4]oxazin-2-one
• InChIKey: ORNSLMJWQDGQFF-UHFFFAOYSA-N
• INCHI: 1S/C7H6N2O2/c10-6-4-11-7-5(9-6)2-1-3-8-7/h1-3H,4H2,(H,9,10)
• Isomeric SMILES: C1C(=O)NC2=C(O1)N=CC=C2
• Molecular Weight: 150.13
• Reaxy-Rn: 18877853
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18877853&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl aryl ether - Pyridine - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Oxacycle - Carbonyl group - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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

• Molecular Weight: 150.130 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 150.043 Da
• Monoisotopic Mass: 150.043 Da
• Topological Polar Surface Area: 51.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 172.000
• 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