2-CHLORO-3-FLUOROISONICOTINIC ACID

The 2-Chloro-3-fluoropyridine-4-carboxylic acid, with the CAS registry number 628691-93-0, is also known as 4-Pyridinecarboxylic acid, 2-chloro-3-fluoro-. It belongs to the product category of Boronic Acid. This chemical's molecular formula is C₆H₃ClFNO₂ and molecular weight is 175.54. What's more, its systematic name is called 2-Chloro-3-fluoroisonicotinic acid. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 2-Chloro-3-fluoropyridine-4-carboxylic acid are: (1)ACD/LogP: 1.347; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.62; (4)ACD/LogD (pH 7.4): -1.80; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.19 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 36.163 cm³; (15)Molar Volume: 111.347 cm³; (16)Polarizability: 14.336×10^-24cm³; (17)Surface Tension: 57.445 dyne/cm; (18)Density: 1.577 g/cm³; (19)Flash Point: 189.148 °C; (20)Enthalpy of Vaporization: 67.338 kJ/mol; (21)Boiling Point: 389.145 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(C(=O)O)ccnc1Cl
(2) InChI: InChI=1S/C6H3ClFNO2/c7-5-4(8)3(6(10)11)1-2-9-5/h1-2H,(H,10,11)
(3) InChIKey: NWNWBLRKHOVSEL-UHFFFAOYSA-N