2-(2,5-Difluorophenyl)-5-hydroxypyridine - ≥96% , CAS No.1261937-03-4

CAS: 1261937-03-4 Cat. No.: D180876 Formule: C₁₁H₇F₂NO Poids moléculaire: 207.2 PubChem CID: 53229292

GRADE & PURITY ≥96%

Synonyms

6-(2,5-Difluorophenyl)pyridin-3-ol | 1261937-03-4 | MFCD18323451 | DTXSID40692524 | 2-(2,5-DIFLUOROPHENYL)-5-HYDROXYPYRIDINE | AKOS015892207 | BS-20251 | 3-Pyridinol, 6-(2,5-difluorophenyl)-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

6-(2,5-Difluorophenyl)pyridin-3-ol | 1261937-03-4 | MFCD18323451 | DTXSID40692524 | 2-(2,5-DIFLUOROPHENYL)-5-HYDROXYPYRIDINE | AKOS015892207 | BS-20251 | 3-Pyridinol, 6-(2,5-difluorophenyl)-

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

Sourires canoniques

C1=CC(=C(C=C1F)C2=NC=C(C=C2)O)F

IUPAC Name

6-(2,5-difluorophenyl)pyridin-3-ol

InChIKey

DHAHVVVYUYYBNH-UHFFFAOYSA-N

INCHI

1S/C11H7F2NO/c12-7-1-3-10(13)9(5-7)11-4-2-8(15)6-14-11/h1-6,15H

Isomères SMILES

C1=CC(=C(C=C1F)C2=NC=C(C=C2)O)F

PubChem CID

53229292

Poids moléculaire

207.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Hydroxypyridines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - Hydroxypyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 207.180 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 207.05 Da
• Monoisotopic Mass: 207.05 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 215.000
• 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