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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

3-Pyridinecarboxylic acid, 5-acetyl-, methyl ester

COC(=O)c1cncc(c1)C(=O)C Request for Quotation
Chemical Name: 3-Pyridinecarboxylic acid, 5-acetyl-, methyl ester
CAS Number: 38940-61-3
Product Number: AG00I7PH(AGN-PC-0JTIEO)
Synonyms:
MDL No:
Molecular Formula: C9H9NO3
Molecular Weight: 179.1727

Identification/Properties

Properties
BP:
312.7±27.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
179.175g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
179.058g/mol
Monoisotopic Mass:
179.058g/mol
Topological Polar Surface Area:
56.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
215
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 5-acetylnicotinate is a versatile compound widely used in chemical synthesis due to its unique properties and reactivity. One of its main applications is as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and fine chemicals. Its acetyl group and nicotinate moiety make it a valuable building block for the preparation of a wide range of organic compounds.In chemical synthesis, Methyl 5-acetylnicotinate serves as a crucial starting material for the construction of complex molecular structures. Its presence allows for the introduction of functional groups, such as esters or amides, through various chemical reactions like acylation or amidation. Furthermore, the nicotinate portion of the molecule can participate in important aromatic substitution reactions, enabling the creation of diverse chemical structures with potential biological activities.Overall, the versatile nature of Methyl 5-acetylnicotinate in chemical synthesis makes it an indispensable tool for organic chemists striving to develop novel compounds with specialized properties for pharmaceutical, agricultural, and industrial applications.