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609-71-2,MFCD00010100
Catalog No.:AA0033A6

609-71-2 | 2-Oxo-1,2-dihydropyridine-3-carboxylic acid

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5g
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10g
98%
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25g
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100g
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0033A6
Chemical Name:
2-Oxo-1,2-dihydropyridine-3-carboxylic acid
CAS Number:
609-71-2
Molecular Formula:
C6H5NO3
Molecular Weight:
139.1088
MDL Number:
MFCD00010100
SMILES:
OC(=O)c1cccnc1O
NSC Number:
226152
Properties
Properties
 
BP:
436°C at 760 mmHg  
Form:
Solid  
MP:
258-261 °C(lit.)  
Refractive Index:
1.5423 (estimate)  
Solubility:
0.1 M NaOH: 0.1 g/mL, clear  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
239  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
0.5  

Upstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1948,vol.70,p.3908,3910

[1]DiePharmazie,1980,vol.34,#5-6,p.253-256

[1]Patent:US2713049,1953,,

[1]Patent:EP1477186,2004,A1,.Locationinpatent:Page/Pagecolumn41

[2]Patent:EP1357111,2003,A1,.Locationinpatent:Page/Pagecolumn59-60

[3]EuropeanJournalofMedicinalChemistry,2012,vol.52,p.284-294

[4]Patent:US2013/317059,2013,A1,.Locationinpatent:Paragraph0404

[5]Patent:JP2016/124812,2016,A,.Locationinpatent:Paragraph0331

[6]JournalofMedicinalChemistry,1993,vol.36,#18,p.2676-2688

[7]Patent:EP2098517,2009,A1,.Locationinpatent:Page/Pagecolumn28

[8]Patent:WO2012/102580,2012,A1,.Locationinpatent:Page/Pagecolumn72-73

[9]Patent:WO2008/76425,2008,A1,.Locationinpatent:Page/Pagecolumn53-54

[10]Patent:WO2008/130600,2008,A2,.Locationinpatent:Page/Pagecolumn45

[1]EuropeanJournalofMedicinalChemistry,2013,vol.61,p.2-25

[2]Patent:US5250548,1993,A,

Downstream Synthesis Route

[1]HelveticaChimicaActa,1956,vol.39,p.505,510

[1]ChemischeBerichte,1940,vol.73,p.156

[1]EuropeanJournalofMedicinalChemistry,2020,vol.201

[2]Patent:DE582319,1930,    Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.19,p.1141

[3]Patent:US1881236,1930,

[1]CurrentPatentAssignee:JIANGSUPIONEERPHARMACEUTICAL-CN113024456,2021,ALocationinpatent:Paragraph0029-0034

[2]Mann;Turnbull[JournaloftheChemicalSociety,1951,p.757,761]Fibel;Spoerri[JournaloftheAmericanChemicalSociety,1948,vol.70,p.3908,3910]

[3]CurrentPatentAssignee:MERCK&COINC-US4081451,1978,A

Literature

Title: [Structural and spectral study of a novel lanthanide 2-hydroxynicotinic acid coordination polymer].

Journal: Guang pu xue yu guang pu fen xi = Guang pu 20120101

Title: Synthesis and biological activity of 2-hydroxynicotinoyl-serine-butyl esters related to antibiotic UK-3A.

Journal: Bioorganic & medicinal chemistry letters 20100715

Title: Molecular, electronic, and crystal structures of self-assembled hydrothermally synthesized Zn(II)-mercaptonicotinate: a combined spectroscopic and theoretical approach.

Journal: Inorganic chemistry 20100503

Title: Poly[[tris-(μ(3)-2-oxidopyridinium-3-carboxyl-ato)manganese(II)sodium(I)] monohydrate].

Journal: Acta crystallographica. Section E, Structure reports online 20100201

Title: Determination and confirmation of nicotinic acid and its analogues and derivates in pear and apple blossoms using high-performance liquid chromatography-diode array-electrospray ionization mass spectrometry.

Journal: Journal of agricultural and food chemistry 20091111

Title: Poly[[aqua-(μ(2)-oxalato)(μ(2)-2-oxido-pyridinium-3-carboxylato)holmium(III)] monohydrate].

Journal: Acta crystallographica. Section E, Structure reports online 20091001

Title: Poly[diaqua-(μ-oxalato)(μ-2-oxidopyridinium-3-carboxyl-ato)lanthanum(III)].

Journal: Acta crystallographica. Section E, Structure reports online 20090601

Title: Poly[diaqua-(μ-oxalato)(μ-2-oxido-pyridinium-3-carboxyl-ato)praseo-dymium(III)].

Journal: Acta crystallographica. Section E, Structure reports online 20090301

Title: Poly[[aqua-(μ(2)-oxalato)(μ(2)-2-oxido-pyridinium-3-carboxylato)dysprosium(III)] monohydrate].

Journal: Acta crystallographica. Section E, Structure reports online 20090201

Title: Template synthesis of lanthanide (Pr, Nd, Gd) coordination polymers with 2-hydroxynicotinic acid exhibiting ferro-/antiferromagnetic interaction.

Journal: Inorganic chemistry 20081006

Title: Comparing the lipid membrane affinity and permeation of drug-like acids: the intriguing effects of cholesterol and charged lipids.

Journal: Pharmaceutical research 20070801

Title: Permeation of aromatic carboxylic acids across lipid bilayers: the pH-partition hypothesis revisited.

Journal: Biophysical journal 20050901

Title: Neutral metallomacrocycles with four or ten (PEt3)Pd(II) centers.

Journal: Inorganic chemistry 20050124

Title: Diastereoselective formation of metallamacrocyclic (arene)Ru(II) and CpRh(III) complexes.

Journal: Inorganic chemistry 20040308

Title: [Synthesis and antibacterial activity of pyridonecarboxylic acid derivatives containing 2-methyl-5-nitroimidazol].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica 20030401

Title: A molybdenum-containing dehydrogenase catalyzing an unusual 2-hydroxylation of nicotinic acid.

Journal: Applied microbiology and biotechnology 20020401

Title: New possible chelating agents of clinical interest for iron(III): 2-hydroxynicotinic acid and 3-hydroxypicolinic acid. A thermodynamic study.

Journal: Annali di chimica 20010101

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Tags:609-71-2 Molecular Formula|609-71-2 MDL|609-71-2 SMILES|609-71-2 2-Oxo-1,2-dihydropyridine-3-carboxylic acid |Organic_Building_Blocks