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6-hydroxypicolinic acid

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Name

6-hydroxypicolinic acid

EINECS 417-690-8
CAS No. 19621-92-2 Density 1.451 g/cm3
PSA 70.42000 LogP 0.48540
Solubility N/A Melting Point 270 °C (dec.)(lit.)
Formula C6H5NO3 Boiling Point 436 °C at 760 mmHg
Molecular Weight 139.111 Flash Point 217.5 °C
Transport Information N/A Appearance light yellow cryst
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 19621-92-2 (6-Hydroxypicolinic acid) Hazard Symbols IrritantXi
Synonyms

Picolinicacid, 1,6-dihydro-6-oxo- (8CI);Picolinic acid, 6-hydroxy- (6CI,7CI);1,6-Dihydro-6-oxo-2-pyridinecarboxylic acid;2-Hydroxypyridine-6-carboxylicacid;2-Oxo-1,2-dihydropyridine-6-carboxylic acid;6-Hydroxy-2-picolinic acid;6-Hydroxypyridine-2-carboxylic acid;6-Oxo-1,6-dihydropyridine-2-carboxylic acid;NSC 51589;

Article Data 21

6-hydroxypicolinic acid Specification

The 6-hydroxypicolinic acid, with its CAS registry number 19621-92-2, has the IUPAC name of 6-oxo-1H-pyridine-2-carboxylic acid. For being a kind of light yellow crystal, its product categories are including blocks; Carboxes; Pyridines; pyridine derivative; Acids and Derivatives; Heterocycles; pharmacetical; Carboxylic Acids; Pyridine; Organic acids; Carboxylic Acids.

The characteristics of this chemical are as below: (1)ACD/LogP: -0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.07; (4)ACD/LogD (pH 7.4): -4.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.61; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 31.84 cm3; (15)Molar Volume: 95.8 cm3; (16)Polarizability: 12.62×10-24 cm3; (17)Surface Tension: 61 dyne/cm; (18)Density: 1.451 g/cm3; (19)Flash Point: 186 °C; (20)Enthalpy of Vaporization: 69.45 kJ/mol; (21)Boiling Point: 384 °C at 760 mmHg; (22)Vapour Pressure: 5.81E-07 mmHg at 25°C; (23)Exact Mass: 139.026943; (24)MonoIsotopic Mass: 139.026943; (25)Topological Polar Surface Area: 66.4; (26)Heavy Atom Count: 10; (27)Complexity: 239.

Production method of this chemical: pyridine-2-carbonitrile could react to produce 6-hydroxypicolinic acid. This reaction could happen in the condition of mineral salts medium, pH 7.0, Alcaligenes faecalis DSM 6335.

Use of this chemical: 6-hydroxypicolinic acid could react with 4-methyl-benzene-1,2-diamine  to produce 6-(5-methyl-1H-benzoimidazol-2-yl)-1H-pyridin-2-one. This reaction could happen in the presence of the reagent of polyphosphoric acid, and it needs the reaction time of 4 hours and the reaction temperature of 160 ℃.

When you are dealing with this kind of chemical, you should be cautious. This is a kind of irritant chemical which is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=O)NC(=C1)C(=O)O
(2)InChI: InChI=1S/C6H5NO3/c8-5-3-1-2-4(7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)
(3)InChIKey: VRCWSYYXUCKEED-UHFFFAOYSA-N 

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