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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, 6-ethynyl-, methyl ester

COC(=O)c1ccc(nc1)C#C Request for Quotation
Chemical Name: 3-Pyridinecarboxylic acid, 6-ethynyl-, methyl ester
CAS Number: 216444-00-7
Product Number: AG00BJI9(AGN-PC-03KRDH)
Synonyms:
MDL No:
Molecular Formula: C9H7NO2
Molecular Weight: 161.1574

Identification/Properties

Computed Properties
Molecular Weight:
161.16g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
161.048g/mol
Monoisotopic Mass:
161.048g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
216
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 6-ethynylnicotinate is a versatile compound that finds crucial applications in chemical synthesis. This compound serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and materials. In organic synthesis, Methyl 6-ethynylnicotinate acts as a key intermediate for the preparation of complex molecules through a series of transformative reactions. Its unique structure enables the introduction of functional groups at specific positions, allowing chemists to tailor the properties of the final product. Furthermore, the presence of the ethynyl group offers the potential for further modifications, such as cross-coupling reactions, to diversify the chemical landscape. Overall, Methyl 6-ethynylnicotinate plays a crucial role in enabling the efficient and strategic synthesis of diverse compounds with tailored functionalities.