2,3-Dihydro-4H-pyrano[3,2-b]pyridin-4-one - ≥97% , CAS No.405174-48-3

CAS: 405174-48-3 Cat. No.: D633821 Molecular Weight: 149.15 PubChem CID: 45079620

GRADE & PURITY ≥97%

Synonyms

A825151 | SY113503 | 4H-Pyrano[3,2-b]pyridin-4-one,2,3-dihydro-(9CI) | GKRJJPIVURFTGT-UHFFFAOYSA-N | 2H,3H,4H-pyrano[3,2-b]pyridin-4-one | FT-0649539 | 2,3-Dihydro-pyrano[3,2-b]pyridin-4-one | 2,3-dihydropyrano[3,2-b]pyridin-4-one | MFCD11035881 | 4H-Pyra

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

A825151 | SY113503 | 4H-Pyrano[3, 2-b]pyridin-4-one, 2, 3-dihydro-(9CI) | GKRJJPIVURFTGT-UHFFFAOYSA-N | 2H, 3H, 4H-pyrano[3, 2-b]pyridin-4-one | FT-0649539 | 2, 3-Dihydro-pyrano[3, 2-b]pyridin-4-one | 2, 3-dihydropyrano[3, 2-b]pyridin-4-one | MFCD11035881 | 4H-Pyra

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

• Canonical Smiles: C1COC2=C(C1=O)N=CC=C2
• IUPAC Name: 2,3-dihydropyrano[3,2-b]pyridin-4-one
• InChIKey: GKRJJPIVURFTGT-UHFFFAOYSA-N
• INCHI: 1S/C8H7NO2/c10-6-3-5-11-7-2-1-4-9-8(6)7/h1-2,4H,3,5H2
• Isomeric SMILES: C1COC2=C(C1=O)N=CC=C2
• Alternate CAS: 405174-48-3
• PubChem CID: 45079620
• Molecular Weight: 149.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyranopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyranopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranopyridines
• Alternative Parents: Aryl alkyl ketones Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyranopyridine - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Ketone - Azacycle - Ether - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyranopyridines. These are polycyclic aromatic compounds containing a pyran 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: 149.150 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 149.048 Da
• Monoisotopic Mass: 149.048 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 169.000
• 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