5-Bromo-2-hydroxypyridine - ≥97% , CAS No.13466-38-1

CAS: 13466-38-1 Cat. No.: B434876 분자식: C₅H₄BrNO 분자량: 174 EC 번호: 629-311-5

GRADE & PURITY ≥97%

Synonyms

STL557496 | AKOS000275940 | 2-hydroxy-5-bromo pyridine | 5-Bromo-2(1H)-pyridinone | 5-bromopyridin-2(1H)-one | DTXSID80344792 | HY-59165 | MLS000084659 | 2-pyridinol, 5-bromo- | HMS2367P10 | BCP23090 | 2~ethyl acetate | InChI=1/C14H22O/c1-13(2,3)10-14(4,5

Storage

Room temperature

Shipped In

Normal

개요

It undergoes difluormethylation in the presence of sodium chlorodifluoroacetate (ClCF2COONa) and methyl cyanide.

Specifications

동의어

STL557496 | AKOS000275940 | 2-hydroxy-5-bromo pyridine | 5-Bromo-2(1H)-pyridinone | 5-bromopyridin-2(1H)-one | DTXSID80344792 | HY-59165 | MLS000084659 | 2-pyridinol, 5-bromo- | HMS2367P10 | BCP23090 | 2~ethyl acetate | InChI=1/C14H22O/c1-13(2,3)10-14(4,5

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

• Pubchem Sid: 528761718
• 정식 스마일: C1=CC(=O)NC=C1Br
• IUPAC Name: 5-bromo-1H-pyridin-2-one
• InChIKey: NDMZZQRNZFWMEZ-UHFFFAOYSA-N
• INCHI: 1S/C5H4BrNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
• 이성체 SMILES: C1=CC(=O)NC=C1Br
• WGK 독일: 3
• 대체 CAS: 49843-23-4
• 분자량: 174
• Reaxy-Rn: 3602086
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3602086&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinones
• Alternative Parents: Dihydropyridines Aryl bromides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Pyridinone - Aryl bromide - Aryl halide - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
• 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

관련 대상(인간)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 180 °C
• 분자량: 174.000 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 172.948 Da
• Monoisotopic Mass: 172.948 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 171.000
• 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