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Nudifloramide-d3 - 95%，95atom%D, high purity , CAS No.1207384-48-2
Basic Description
Synonyms
CHEBI:145118 | 1-(~2~H_3_)Methyl-6-oxo-1,6-dihydropyridine-3-carboxamide | 6-Oxo-1-(trideuteriomethyl)pyridine-3-carboxamide | Nudifloramide-d3 | 1-(methyl-d3)-2-pyridoxone-5-carboxamide | DTXSID70858232 | 1207384-48-2 | Met-2Pyr-d3 | CS-0200751 | d3 Me-2
Specifications & Purity
≥95 atom% D,≥95%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Pyridinecarboxamides
Direct Parent
Nicotinamides
Alternative Parents
Pyridinones Dihydropyridines Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nicotinamide - Dihydropyridine - Pyridinone - Hydropyridine - Vinylogous amide - Heteroaromatic compound - Primary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide 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.
Names and Identifiers
Pubchem Sid
504772225
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504772225
IUPAC Name
6-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide
INCHI
InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)/i1D3
InChIKey
JLQSXXWTCJPCBC-FIBGUPNXSA-N
Smiles
CN1C=C(C=CC1=O)C(=O)N
Isomeric SMILES
[2H]C([2H])([2H])N1C=C(C=CC1=O)C(=O)N
Molecular Weight
155.17
Reaxy-Rn
124385
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124385&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO (Slightly, Heated), Methanol (Slightly, Heated)
Melt Point(°C)
200-205° C (dec.)
Molecular Weight
155.170 g/mol
XLogP3
-1.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
155.077 Da
Monoisotopic Mass
155.077 Da
Topological Polar Surface Area
63.400 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
266.000
Isotope Atom Count
3
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
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E2318416