4-Bromo-3-hydroxypyridine - ≥97% , CAS No.161417-28-3

CAS: 161417-28-3 Cat. No.: B181861 Molecular Weight: 174.00 EC Number: 806-483-1

GRADE & PURITY ≥97%

Synonyms

A18265 | BB 0260702 | AKOS005199009 | AC-3227 | J-514729 | 4-Bromo-3-pyridinol | 4bromo-3-pyridinol | SCHEMBL316645 | DTXSID30376205 | 4-bromopyridin-3-ol | MFCD03093021 | AM20080743 | DS-10526 | EN300-123127 | J-009827 | SY004894 | 4-Bromo-3-hydroxypyrid

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A18265 | BB 0260702 | AKOS005199009 | AC-3227 | J-514729 | 4-Bromo-3-pyridinol | 4bromo-3-pyridinol | SCHEMBL316645 | DTXSID30376205 | 4-bromopyridin-3-ol | MFCD03093021 | AM20080743 | DS-10526 | EN300-123127 | J-009827 | SY004894 | 4-Bromo-3-hydroxypyrid

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488193282
• Canonical Smiles: C1=CN=CC(=C1Br)O
• IUPAC Name: 4-bromopyridin-3-ol
• InChIKey: YCVSFCXUHPVAFH-UHFFFAOYSA-N
• INCHI: 1S/C5H4BrNO/c6-4-1-2-7-3-5(4)8/h1-3,8H
• Isomeric SMILES: C1=CN=CC(=C1Br)O
• Molecular Weight: 174.00
• Reaxy-Rn: 110188
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110188&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Hydroxypyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxypyridines
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxypyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxypyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a hydroxyl group.
• 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: 174.000 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 172.948 Da
• Monoisotopic Mass: 172.948 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

References

1. Tian Li, Zhengjun Cheng, Lijun Cao, Xiaohui Jiang.  (2015)  Comparison of interactions between three food colorants and BSA.  FOOD CHEMISTRY,      [PMID:26471614] [10.1016/j.foodchem.2015.08.067]

2. Mingjie Li, Xuesong Peng, Jie Jiang, Yaqiang Li, Fan Meng, Youzheng Wu, Maozhong An, Ruopeng Li, Penghui Ren, Peixia Yang.  (2025)  Filling performance of an Acid Blue 1 leveler on blind microvias.  NEW JOURNAL OF CHEMISTRY,      [PMID:] [10.1039/D4NJ05470A]