Methyl 2-hydroxy-5-nitronicotinate - ≥98% , CAS No.856579-28-7

CAS: 856579-28-7 Cat. No.: M187160 분자식: C₇H₆N₂O₅ 분자량: 198.1 EC 번호: 800-957-1

등급 & 순도 ≥98%

Synonyms

5-nitro-2-hydroxynicotinic acid methyl ester | Methyl 2-hydroxy-5-nitronicotinate | methyl 2-hydroxy-5-nitropyridine-3-carboxylate | AC-9302 | DE-0720 | DLMMETCUQGSGOK-UHFFFAOYSA-N | AB42840 | SCHEMBL3348546 | AKOS006228166 | METHYL2-HYDROXY-5-NITRONICOTI

Storage

Room temperature

Shipped In

Normal

사양

동의어

5-nitro-2-hydroxynicotinic acid methyl ester | Methyl 2-hydroxy-5-nitronicotinate | methyl 2-hydroxy-5-nitropyridine-3-carboxylate | AC-9302 | DE-0720 | DLMMETCUQGSGOK-UHFFFAOYSA-N | AB42840 | SCHEMBL3348546 | AKOS006228166 | METHYL2-HYDROXY-5-NITRONICOTI

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

정식 스마일

COC(=O)C1=CC(=CNC1=O)[N+](=O)[O-]

IUPAC Name

methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate

InChIKey

DLMMETCUQGSGOK-UHFFFAOYSA-N

INCHI

1S/C7H6N2O5/c1-14-7(11)5-2-4(9(12)13)3-8-6(5)10/h2-3H,1H3,(H,8,10)

이성체 SMILES

COC(=O)C1=CC(=CNC1=O)[N+](=O)[O-]

분자량

198.1

Reaxy-Rn

44479984

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=44479984&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Dihydropyridinecarboxylic acids and derivatives Nitroaromatic compounds Pyridinones Vinylogous amides Heteroaromatic compounds Methyl esters Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Nitroaromatic compound - Dihydropyridine - Pyridinone - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxylic acid ester - Lactam - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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

• 분자량: 198.130 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 198.028 Da
• Monoisotopic Mass: 198.028 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 363.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 856579-28-7, the molecular formula is C7H6N2O5, and the molecular weight is 198.1 g/mol. InChIKey DLMMETCUQGSGOK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.