5-Chloro-2-hydroxynicotinic acid

The 5-Chloro-2-hydroxynicotinic acid, with CAS registry number 38076-80-1, belongs to the following product category: Pyridine. It has the systematic name of 5-chloro-2-oxo-1,2-dihydropyridine-3-carboxylic acid. This chemical should be stored in cool, dry place. And the chemical formula of this chemical is C₆H₄ClNO₃.

Physical properties of 5-Chloro-2-hydroxynicotinic acid: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.98; (4)ACD/LogD (pH 7.4): -4.35; (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 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 37.39 cm³; (15)Molar Volume: 106.9 cm³; (16)Polarizability: 14.82×10^-24cm³; (17)Surface Tension: 64.3 dyne/cm; (18)Enthalpy of Vaporization: 64.58 kJ/mol; (19)Vapour Pressure: 1.23E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-hydroxy-nicotinic acid. This reaction will need reagents Cl₂, NaOH and solvent H₂O. The reaction temperature is 0 - 35 ℃. The yield is about 84%.

Uses of 5-Chloro-2-hydroxynicotinic acid: it can be used to produce 2,5-dichloro-nicotinic acid. The reaction will need reagent SO₂Cl₂ and solvent dimethylformamide. The reaction time is 2 hour(s). The yield is about 91%.

When you are using this chemical, please be cautious about it as the following:
The 5-Chloro-2-hydroxynicotinic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C1=C\C(\Cl)=C/NC1=O
(2)InChI: InChI=1/C6H4ClNO3/c7-3-1-4(6(10)11)5(9)8-2-3/h1-2H,(H,8,9)(H,10,11)
(3)InChIKey: XBHXNMLFJZTSAS-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H4ClNO3/c7-3-1-4(6(10)11)5(9)8-2-3/h1-2H,(H,8,9)(H,10,11)
(5)Std. InChIKey: XBHXNMLFJZTSAS-UHFFFAOYSA-N