Home Carboxys 3-Pyridinecarboxylicacid,4-ethyl-(9CI)

3-Pyridinecarboxylicacid,4-ethyl-(9CI)

CAS No.:
52830-20-3
Catalog Number:
AG00E2PG
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
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Product Description
Catalog Number:
AG00E2PG
Chemical Name:
3-Pyridinecarboxylicacid,4-ethyl-(9CI)
CAS Number:
52830-20-3
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD18819065
IUPAC Name:
4-ethylpyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9NO2/c1-2-6-3-4-9-5-7(6)8(10)11/h3-5H,2H2,1H3,(H,10,11)
InChI Key:
ZQDCHFWHASWLKG-UHFFFAOYSA-N
SMILES:
CCc1ccncc1C(=O)O
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
N-(2-Nitro-oxyeth-yl)picolinamide. Acta crystallographica. Section E, Structure reports online 20111001
Structural characterization and EPR spectral studies on mononuclear copper(II) complex of saccharin with ethylnicotinate. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090201
Synthesis of new 3-pyridinecarboxylates of potential vasodilation properties. European journal of medicinal chemistry 20080901
Analysis of skin disposition and metabolism of ethyl nicotinate after topical application using dual agar gel disc-inserted rats. Biological & pharmaceutical bulletin 20080101
[The study of vasodilative and antiischemic function of nicorandil in regional ischemia and reperfusion of rat heart in vivo]. Kardiologiia 20080101
Syntheses of nicotinamide riboside and derivatives: effective agents for increasing nicotinamide adenine dinucleotide concentrations in mammalian cells. Journal of medicinal chemistry 20071227
Inhibitory effect of 3-carboethoxypyridine and 3-carbobutoxypyridine on isolated rat uterus. Acta poloniae pharmaceutica 20070101
Comparison of skin transport and metabolism of ethyl nicotinate in various species. European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V 20041101
Utility of a three-dimensional cultured human skin model as a tool to evaluate the simultaneous diffusion and metabolism of ethyl nicotinate in skin. Drug metabolism and pharmacokinetics 20041001
Age dependency of esterase activity in rat and human keratinocytes. Biological & pharmaceutical bulletin 20030901
Age difference in simultaneous permeation and metabolism of ethyl nicotinate in rat skin. Biological & pharmaceutical bulletin 20010401
Properties