2-Hydroxy-6-methyl-3-nitropyridine - ≥97% , CAS No.39745-39-6

CAS: 39745-39-6 Cat. No.: H120568 분자식: C₆H₆N₂O₃ 분자량: 154.12 EC 번호: 625-238-8

등급 & 순도 ≥97%

Synonyms

6-methyl-3-nitro-2(1h)-pyridinone | AC-23066 | W-200342 | BCP22177 | 6-Hydroxy-5-nitro-2-picoline | 2-hydroxy-3-nitro-6-methylpyridine | DTXSID90337478 | SY011619 | 6-Methyl-3-nitro-2-pyridinol # | J-517779 | N11927 | 2-Hydroxy-3-nitro-6-picoline | 2-Hydr

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

사양

동의어

6-methyl-3-nitro-2(1h)-pyridinone | AC-23066 | W-200342 | BCP22177 | 6-Hydroxy-5-nitro-2-picoline | 2-hydroxy-3-nitro-6-methylpyridine | DTXSID90337478 | SY011619 | 6-Methyl-3-nitro-2-pyridinol # | J-517779 | N11927 | 2-Hydroxy-3-nitro-6-picoline | 2-Hydr

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

528757556

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528757556

정식 스마일

CC1=CC=C(C(=O)N1)[N+](=O)[O-]

IUPAC Name

6-methyl-3-nitro-1H-pyridin-2-one

InChIKey

YVYDGIGILRUPED-UHFFFAOYSA-N

INCHI

1S/C6H6N2O3/c1-4-2-3-5(8(10)11)6(9)7-4/h2-3H,1H3,(H,7,9)

이성체 SMILES

CC1=CC=C(C(=O)N1)[N+](=O)[O-]

WGK 독일

3

분자량

154.12

Reaxy-Rn

1527623

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1527623&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • 분류 Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• 분류: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Pyridinones Methylpyridines Dihydropyridines Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Dihydropyridine - Methylpyridine - Pyridinone - Hydropyridine - Pyridine - Heteroaromatic compound - Lactam - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic 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

화학 및 물리적 특성

• 녹는점(°C): 222-226°C
• 분자량: 154.120 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 154.038 Da
• Monoisotopic Mass: 154.038 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 272.000
• 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