5-Amino-2-bromo-3-methylpyridine - ≥98%(GC) , CAS No.38186-83-3

CAS: 38186-83-3 Cat. No.: A151752 Peso molecular: 187.04 Número EC: 833-076-6

GRADE & PURITY ≥98%(GC)

Synonyms

IEONGQZSAUAAKH-UHFFFAOYSA-N | AKOS005257957 | 2-bromo-5-amino-3-methylpyridine | 5-amino-2-bromo-3-picoline, AldrichCPR | DS-0481 | 6-Bromo-5-methyl-pyridin-3-ylamine | SB40595 | 5-Amino-2-bromo-3-picoline | SCHEMBL2407304 | 4-(Cyclopentylaminocarbonyl)ph

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

IEONGQZSAUAAKH-UHFFFAOYSA-N | AKOS005257957 | 2-bromo-5-amino-3-methylpyridine | 5-amino-2-bromo-3-picoline, AldrichCPR | DS-0481 | 6-Bromo-5-methyl-pyridin-3-ylamine | SB40595 | 5-Amino-2-bromo-3-picoline | SCHEMBL2407304 | 4-(Cyclopentylaminocarbonyl)ph

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488198059
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198059
• Sonrisas canónicas: CC1=CC(=CN=C1Br)N
• IUPAC Name: 6-bromo-5-methylpyridin-3-amine
• InChIKey: IEONGQZSAUAAKH-UHFFFAOYSA-N
• INCHI: 1S/C6H7BrN2/c1-4-2-5(8)3-9-6(4)7/h2-3H,8H2,1H3
• Isómeros SMILES: CC1=CC(=CN=C1Br)N
• Peso molecular: 187.04
• Reaxy-Rn: 471832
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471832&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Aminopyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: Methylpyridines 2-halopyridines Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Methylpyridine - Aminopyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached 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

Propiedades químicas y físicas

• Punto de fusión (°C): 100 °C
• Peso molecular: 187.040 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 185.979 Da
• Monoisotopic Mass: 185.979 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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