2-BROMO-ISONICOTINAMIDE

The 4-Pyridinecarboxamide,2-bromo-, with the CAS registry number 29840-73-1, is also known as ZINC02559905. It belongs to the product categories of Blocks; Bromides; Carboxes; Pyridines; Pyridines, Pyrimidines, Purines and Pteredines. This chemical's molecular formula is C₆H₅BrN₂O and molecular weight is 201.02. Its IUPAC name is called 2-bromopyridine-4-carboxamide.

Physical properties of 4-Pyridinecarboxamide,2-bromo-: (1)ACD/LogP: 0.66; (2)ACD/LogD (pH 5.5): 0.66; (3)ACD/LogD (pH 7.4): 0.66; (4)ACD/BCF (pH 5.5): 1.87; (5)ACD/BCF (pH 7.4): 1.87; (6)ACD/KOC (pH 5.5): 54.53; (7)ACD/KOC (pH 7.4): 54.53; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.613; (12)Molar Refractivity: 40.96 cm³; (13)Molar Volume: 117.5 cm³; (14)Surface Tension: 59.4 dyne/cm; (15)Density: 1.71 g/cm³; (16)Flash Point: 158.3 °C; (17)Enthalpy of Vaporization: 58.14 kJ/mol; (18)Boiling Point: 338.1 °C at 760 mmHg; (19)Vapour Pressure: 0.0001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CN=C(C=C1C(=O)N)Br
(2)InChI: InChI=1S/C6H5BrN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10)
(3)InChIKey: KCELTDZFDHPTBI-UHFFFAOYSA-N