2-bromo-5-[(4-methoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine - ≥97% , CAS No.1434141-87-3

CAS: 1434141-87-3 Cat. No.: B635624 Peso molecular: 318.17 PubChem CID: 91800853

GRADE & PURITY ≥97%

Synonyms

2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine | A1-43063 | A884949 | AS-33945 | 2-Bromo-5-(4-methoxybenzyl)-5H-pyrrolo[2,3-b]pyrazine | 2-bromo-5-[(4-methoxyphenyl)methyl]-5H-pyrrolo[2,3-b]pyrazine | C14H12BrN3O | SB11293 | 1434141-87-3 | 5H-P

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2, 3-b]pyrazine | A1-43063 | A884949 | AS-33945 | 2-Bromo-5-(4-methoxybenzyl)-5H-pyrrolo[2, 3-b]pyrazine | 2-bromo-5-[(4-methoxyphenyl)methyl]-5H-pyrrolo[2, 3-b]pyrazine | C14H12BrN3O | SB11293 | 1434141-87-3 | 5H-P

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=C(C=C1)CN2C=CC3=NC(=CN=C32)Br
• IUPAC Name: 2-bromo-5-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyrazine
• InChIKey: DFDZCGFENWVVHO-UHFFFAOYSA-N
• INCHI: 1S/C14H12BrN3O/c1-19-11-4-2-10(3-5-11)9-18-7-6-12-14(18)16-8-13(15)17-12/h2-8H,9H2,1H3
• Isómeros SMILES: COC1=CC=C(C=C1)CN2C=CC3=NC(=CN=C32)Br
• CAS alternativo: 1434141-87-3
• PubChem CID: 91800853
• Peso molecular: 318.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolopyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolopyrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyrazines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Substituted pyrroles Pyrazines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyrazine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Substituted pyrrole - Pyrazine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolopyrazines. These are compounds containing a pyrrolopyrazine moiety, which consists of a pyrrole ring fused to a pyrazine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 and 4.
• 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

• Peso molecular: 318.170 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 317.016 Da
• Monoisotopic Mass: 317.016 Da
• Topological Polar Surface Area: 39.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 296.000
• 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