Ethyl 4-bromo-6-methoxy-1,5-naphthyridine-3-carboxylate - ≥98% , CAS No.724788-64-1

CAS: 724788-64-1 Cat. No.: E194770 Molecular Weight: 311.13

GRADE & PURITY ≥98%

Synonyms

SY103244 | 4-Bromo-6-methoxy-[1.5]naphthyridine-3-carboxylic acid ethyl ester | SCHEMBL2951473 | DS-14711 | 4-Bromo-6-methoxy-[1,5]naphthyridine-3-carboxylic acid ethyl ester | A866252 | KXIRJHCVVKYTLS-UHFFFAOYSA-N | AKOS016005798 | ZDB78864 | Ethyl4-brom

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SY103244 | 4-Bromo-6-methoxy-[1.5]naphthyridine-3-carboxylic acid ethyl ester | SCHEMBL2951473 | DS-14711 | 4-Bromo-6-methoxy-[1, 5]naphthyridine-3-carboxylic acid ethyl ester | A866252 | KXIRJHCVVKYTLS-UHFFFAOYSA-N | AKOS016005798 | ZDB78864 | Ethyl4-brom

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C1=CN=C2C=CC(=NC2=C1Br)OC
• IUPAC Name: ethyl 4-bromo-6-methoxy-1,5-naphthyridine-3-carboxylate
• InChIKey: KXIRJHCVVKYTLS-UHFFFAOYSA-N
• INCHI: 1S/C12H11BrN2O3/c1-3-18-12(16)7-6-14-8-4-5-9(17-2)15-11(8)10(7)13/h4-6H,3H2,1-2H3
• Isomeric SMILES: CCOC(=O)C1=CN=C2C=CC(=NC2=C1Br)OC
• Molecular Weight: 311.13
• Reaxy-Rn: 14513153
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14513153&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Naphthyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthyridine carboxylic acids and derivatives
• Alternative Parents: Pyridinecarboxylic acids Alkyl aryl ethers Aryl bromides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthyridine carboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Alkyl aryl ether - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid 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: 311.130 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 309.995 Da
• Monoisotopic Mass: 309.995 Da
• Topological Polar Surface Area: 61.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 303.000
• 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