3-ACETYL-5-BROMOPYRIDINE

The 3-Acetyl-5-bromopyridine is an organic compound with the formula C₇H₆BrNO. The IUPAC name of this chemical is 1-(5-bromopyridin-3-yl)ethanone. With the CAS registry number 38940-62-4, it is also named as ethanone, 1-(5-bromo-3-pyridinyl)-. The product's categories are API Intermediates; Pyridines. It is powder which should be sealed in the container and stored in the cool and dry place.

The other characteristics of 3-Acetyl-5-bromopyridine can be summarized as: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.193; (4)ACD/LogD (pH 7.4): 1.193; (5)ACD/BCF (pH 5.5): 4.748; (6)ACD/BCF (pH 7.4): 4.748; (7)ACD/KOC (pH 5.5): 106.135; (8)ACD/KOC (pH 7.4): 106.139; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 42.062 cm³; (15)Molar Volume: 130.372 cm³; (16)Surface Tension: 44.698 dyne/cm; (17)Enthalpy of Vaporization: 51.799 kJ/mol; (18)Vapour Pressure: 0.004 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 2; (21)Exact Mass: 198.963276; (22)MonoIsotopic Mass: 198.963276; (23)Topological Polar Surface Area: 30; (24)Heavy Atom Count: 10; (25)Complexity: 138.

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

People can use the following data to convert to the molecule structure.
1. SMILES:CC(=O)c1cc(cnc1)Br
2. InChI:InChI=1/C7H6BrNO/c1-5(10)6-2-7(8)4-9-3-6/h2-4H,1H3
3. InChIKey:LDBPZEQZCOUYFT-UHFFFAOYAL