1,6-Naphthyridine - ≥97% , CAS No.253-72-5

CAS: 253-72-5 Cat. No.: N134379 Fórmula: C₈H₆N₂ Peso molecular: 130.15 Beilstein Registry Number: 23(3/4)1236 Número CE: 640-546-2

GRAU & PUREZA ≥97%

Synonyms

1,6-Naphthyridine | [1,6]Naphthyridine | 1,6-Diazanaphthalene | 1,6-Pyridopyridine | Pyrido[4,3-b]pyridine | 2,8-dihydro-1,6-naphthyridine

Storage

Room temperature,Argon charged

Shipped In

Normal

Especificações

Sinónimos

1,6-Naphthyridine | [1,6]Naphthyridine | 1,6-Diazanaphthalene | 1,6-Pyridopyridine | Pyrido[4,3-b]pyridine | 2,8-dihydro-1,6-naphthyridine

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504754161

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754161

Sorrisos canónicos

C1=CC2=C(C=CN=C2)N=C1

IUPAC Name

1,6-naphthyridine

InChIKey

VSOSXKMEQPYESP-UHFFFAOYSA-N

INCHI

1S/C8H6N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-6H

SMILES isoméricas

C1=CC2=C(C=CN=C2)N=C1

Peso molecular

130.15

Beilstein

23(3/4)1236

Reaxy-Rn

109369

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109369&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Naphthyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Naphthyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthyridines
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthyridine - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
• External Descriptors: naphthyridine

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

Propriedades químicas e físicas

• Sensibilidade: Hygroscopic
• Ponto de fusão (°C): 35 °C
• Peso molecular: 130.150 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 130.053 Da
• Monoisotopic Mass: 130.053 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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