5-Bromo-2-methoxypyridine

The IUPAC name of 5-Bromo-2-methoxypyridine is 5-bromo-2-methoxypyridine. With the CAS registry number 13472-85-0, it is also named as Pyridine, 5-bromo-2-methoxy-. The product's categories are Compounds of Pyridine; Blocks; Bromides; Pyridine Derivative; Pyridines, Pyrimidines, Purines And Pteredines; Alkoxy; Organohalides; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; Miscellaneous Compounds; Bromopyridines; Halopyridines; Boronic Acid; C6heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Brominated Heterocyclic Series. Besides, it is light yellow liquid, which should be stored in airtight, cool, dry and ventilated place. In addition, its molecular formula is C₆H₆BrNO and molecular weight is 188.02.

The other characteristics of 5-Bromo-2-methoxypyridine can be summarized as: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.56; (6)ACD/BCF (pH 7.4): 56.56; (7)ACD/KOC (pH 5.5): 625.23; (8)ACD/KOC (pH 7.4): 625.26; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 38.71 cm³; (15)Molar Volume: 122.8 cm³; (16)Polarizability: 15.34×10^-24cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.53 g/cm³; (19)Flash Point: 72.9 °C; (20)Enthalpy of Vaporization: 41.54 kJ/mol; (21)Boiling Point: 197 °C at 760 mmHg; (22)Vapour Pressure: 0.545 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: COc1ccc(cn1)Br
(2)InChI: InChI=1/C6H6BrNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
(3)InChIKey: XADICJHFELMBGX-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H6BrNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
(5)Std. InChIKey: XADICJHFELMBGX-UHFFFAOYSA-N