Methyl 5-bromonicotinate

The 3-Pyridinecarboxylicacid, 5-bromo-, methyl ester is an organic compound with the formula C₇H₆BrNO₂. The IUPAC name of this chemical is methyl 5-bromopyridine-3-carboxylate. With the CAS registry number 29681-44-5, it is also named as 5-Bromo-3-pyridinecarboxylic acid methyl ester. The product's categories are Blocks; Bromides; Carboxes; Pyridines. Besides, it is a white powder, which should be stored in a closed cool and dry place.

Physical properties about 3-Pyridinecarboxylicacid, 5-bromo-, methyl ester are: (1)ACD/LogP: 1.82; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 39.19 Å²; (5)Index of Refraction: 1.553; (6)Molar Refractivity: 43.8 cm³; (7)Molar Volume: 136.7 cm³; (8)Polarizability: 17.36×10^-24cm³; (9)Surface Tension: 46.3 dyne/cm; (10)Density: 1.579 g/cm³; (11)Flash Point: 100 °C; (12)Enthalpy of Vaporization: 47.87 kJ/mol; (13)Boiling Point: 241.7 °C at 760 mmHg; (14)Vapour Pressure: 0.0354 mmHg at 25°C.

Preparation: this chemical can be prepared by diazomethane and 5-bromo-nicotinic acid. This reaction will need reagent diethyl ether. The reaction time is 15 min.

Uses of 3-Pyridinecarboxylicacid, 5-bromo-, methyl ester: it can be used to produce 5-bromo-nicotinic acid at ambient temperature. It will need reagent KOH and solvent methanol, H₂O with reaction time of 12 hours. The yield is about 91%.

When you are using this chemical, please be cautious about it as the following:
It is risk of serious damage to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cc(cnc1)Br
(2)InChI: InChI=1/C7H6BrNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3
(3)InChIKey: AAJZXPWBILCHAW-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3
(5)Std. InChIKey: AAJZXPWBILCHAW-UHFFFAOYSA-N