2-Chloro-5-hydroxypyridine - ≥97% , CAS No.41288-96-4

CAS: 41288-96-4 Cat. No.: C102603 Summenformel: C₅H₄ClNO Molekulargewicht: 129.55 Beilstein Registry Number: 21(5)2,86 EG-Nummer: 670-289-1

GRADE & PURITY ≥97%

Synonyms

BBL100861 | DTXSID50356120 | AM-977/25004381 | 5-hydroxy-2-chloropyridine | 3-PYRIDINOL, 6-CHLORO- | 2-Chloro-5-hydroxypyridine, AldrichCPR | A6846 | 6-chloropyridine-3-ol | FT-0601291 | SCHEMBL199726 | 6-chloro-pyridin-3-ol | 6-chloropyridin-3-ol | AKOS0

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

BBL100861 | DTXSID50356120 | AM-977/25004381 | 5-hydroxy-2-chloropyridine | 3-PYRIDINOL, 6-CHLORO- | 2-Chloro-5-hydroxypyridine, AldrichCPR | A6846 | 6-chloropyridine-3-ol | FT-0601291 | SCHEMBL199726 | 6-chloro-pyridin-3-ol | 6-chloropyridin-3-ol | AKOS0

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488191548

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191548

Kanonisches Lächeln

C1=CC(=NC=C1O)Cl

IUPAC Name

6-chloropyridin-3-ol

InChIKey

KVCOOWROABTXDJ-UHFFFAOYSA-N

INCHI

1S/C5H4ClNO/c6-5-2-1-4(8)3-7-5/h1-3,8H

Isomere SMILES

C1=CC(=NC=C1O)Cl

Molekulargewicht

129.55

Beilstein

21(5)2,86

Reaxy-Rn

1524338

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1524338&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Hydroxypyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Hydroxypyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 152-158°C
• Molekulargewicht: 129.539 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.998 Da
• Monoisotopic Mass: 128.998 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.800
• 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