3,5-Dibromopyridine-4-methanol - ≥97% , CAS No.197008-13-2

CAS: 197008-13-2 Cat. No.: D168301 Formula: C₆H₅Br₂NO Peso molecolare: 266.92 Numero EC: 803-189-5

GRADE & PURITY ≥97%

Synonyms

SCHEMBL7350671 | A849329 | ZHNPEZCPMQFETF-UHFFFAOYSA-N | AKOS016003373 | FT-0764107 | C91116 | 3,5-Dibromopyridine-4-methanol | 3,5-Dibromopyridine-4-methanol, 97% | EN300-226616 | DTXSID40628868 | SB55237 | MFCD16606960 | (3,5-dibromopyridin-4-yl)methano

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SCHEMBL7350671 | A849329 | ZHNPEZCPMQFETF-UHFFFAOYSA-N | AKOS016003373 | FT-0764107 | C91116 | 3,5-Dibromopyridine-4-methanol | 3,5-Dibromopyridine-4-methanol, 97% | EN300-226616 | DTXSID40628868 | SB55237 | MFCD16606960 | (3,5-dibromopyridin-4-yl)methano

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

C1=C(C(=C(C=N1)Br)CO)Br

IUPAC Name

(3,5-dibromopyridin-4-yl)methanol

InChIKey

ZHNPEZCPMQFETF-UHFFFAOYSA-N

INCHI

1S/C6H5Br2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-2,10H,3H2

Isomeri SMILES

C1=C(C(=C(C=N1)Br)CO)Br

Peso molecolare

266.92

Reaxy-Rn

7514639

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7514639&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organobromides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Aryl bromide - Aryl halide - Heteroaromatic compound - Azacycle - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 266.920 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 266.872 Da
• Monoisotopic Mass: 264.874 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 102.000
• 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