(R)-5-Bromo-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine - ≥98% , CAS No.877399-00-3

CAS: 877399-00-3 Cat. No.: R195499 Molecular Weight: 380.04 EC Number: 700-798-7 PubChem CID: 11689426

GRADE & PURITY ≥98%

Synonyms

5-bromo-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine | DTXSID10470674 | AC-25086 | (R)-5-Bromo-3-(1-(2,6-dichloro-3-fluorophenyl)-ethoxy)pyridin-2-amine | (R)-5-Bromo-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine | DS-18416 | 5

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

5-bromo-3-[(1R)-1-(2, 6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine | DTXSID10470674 | AC-25086 | (R)-5-Bromo-3-(1-(2, 6-dichloro-3-fluorophenyl)-ethoxy)pyridin-2-amine | (R)-5-Bromo-3-(1-(2, 6-dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine | DS-18416 | 5

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766648
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766648
• Canonical Smiles: CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)Br)N
• IUPAC Name: 5-bromo-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
• InChIKey: URFUZAZEKBBCEY-ZCFIWIBFSA-N
• INCHI: 1S/C13H10BrCl2FN2O/c1-6(11-8(15)2-3-9(17)12(11)16)20-10-4-7(14)5-19-13(10)18/h2-6H,1H3,(H2,18,19)/t6-/m1/s1
• Isomeric SMILES: C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)Br)N
• PubChem CID: 11689426
• Molecular Weight: 380.04

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Fluorobenzenes Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Aryl fluorides Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Alkyl aryl ether - Aminopyridine - Fluorobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Ether - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

• Specific Rotation[α]: -67° (C=1,CHCl3)
• Melt Point(°C): 109 °C
• Molecular Weight: 380.000 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 377.934 Da
• Monoisotopic Mass: 377.934 Da
• Topological Polar Surface Area: 48.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 329.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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