2-(N'-Acetylhydrazino)-5-chloro-3-fluoropyridine - ≥98% , CAS No.1150561-82-2

CAS: 1150561-82-2 Cat. No.: N179695 Molecular Weight: 203.6 PubChem CID: 46739462

GRADE & PURITY ≥98%

Synonyms

AKOS015837928 | 2-(N'-ACETYLHYDRAZINO)-5-CHLORO-3-FLUOROPYRIDINE | DTXSID70675067 | MFCD12026107 | SB86377 | BS-19439 | 1150561-82-2 | Acetic acid, 2-(5-chloro-3-fluoro-2-pyridinyl)hydrazide | N'-(5-Chloro-3-fluoropyridin-2-yl)acetohydrazide

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS015837928 | 2-(N'-ACETYLHYDRAZINO)-5-CHLORO-3-FLUOROPYRIDINE | DTXSID70675067 | MFCD12026107 | SB86377 | BS-19439 | 1150561-82-2 | Acetic acid, 2-(5-chloro-3-fluoro-2-pyridinyl)hydrazide | N'-(5-Chloro-3-fluoropyridin-2-yl)acetohydrazide

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(=O)NNC1=C(C=C(C=N1)Cl)F
• IUPAC Name: N'-(5-chloro-3-fluoropyridin-2-yl)acetohydrazide
• InChIKey: NNYOKSGJLISDRJ-UHFFFAOYSA-N
• INCHI: 1S/C7H7ClFN3O/c1-4(13)11-12-7-6(9)2-5(8)3-10-7/h2-3H,1H3,(H,10,12)(H,11,13)
• Isomeric SMILES: CC(=O)NNC1=C(C=C(C=N1)Cl)F
• PubChem CID: 46739462
• Molecular Weight: 203.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: Imidolactams Aryl fluorides Aryl chlorides Heteroaromatic compounds Acetamides Carboxylic acid hydrazides Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Aryl chloride - Aryl fluoride - Aryl halide - Imidolactam - Heteroaromatic compound - Acetamide - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• 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: 203.600 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 203.026 Da
• Monoisotopic Mass: 203.026 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 193.000
• 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