4-Pyridinecarboxylicacid, 2-(acetylamino)-5-bromo- supplier

Name
2-ACETAMIDO-5-BROMOISONICOTINIC ACID
EINECS
CAS No. 871269-03-3
Density 1.793 g/cm³
Solubility
Melting Point 258-262 °C
Formula C₈H₇BrN₂O₃
Boiling Point 569.9 °C at 760 mmHg
Molecular Weight 259.06
Flash Point 298.4 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms 2-acetamido-5-bromopyridine-4-carboxylic acid
PSA 79.29000
LogP 1.57370

4-Pyridinecarboxylicacid, 2-(acetylamino)-5-bromo- Specification

The 4-Pyridinecarboxylicacid, 2-(acetylamino)-5-bromo-, with the CAS registry number of 871269-03-3, is also known as 2-Acetamido-5-bromoisonicotinic acid and 2-Acetamido-5-bromopyridine-4-carboxylic acid. It belongs to the product categories of Blocks; Bromides; Carboxes; Pyridines; Pyridine. This chemical's molecular formula is C₈H₇BrN₂O₃ and molecular weight is 259.06. What's more, its systematic name is called 2-(Acetylamino)-5-bromopyridine-4-carboxylic acid.

Physical properties about 4-Pyridinecarboxylicacid, 2-(acetylamino)-5-bromo- are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 59.5 Å²; (7)Index of Refraction: 1.658; (8)Molar Refractivity: 53.23 cm³; (9)Molar Volume: 144.4 cm³; (10)Polarizability: 21.1×10^-24 cm³; (11)Surface Tension: 69.9 dyne/cm; (12)Density: 1.793 g/cm³; (13)Flash Point: 298.4 °C; (14)Enthalpy of Vaporization: 89.93 kJ/mol; (15)Boiling Point: 569.9 °C at 760 mmHg; (16)Melting Point: 258-262 °C; (17)Vapour Pressure: 7.98E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ncc(Br)c(c1)C(=O)O)C
(2) InChI: InChI=1/C8H7BrN2O3/c1-4(12)11-7-2-5(8(13)14)6(9)3-10-7/h2-3H,1H3,(H,13,14)(H,10,11,12)
(3) InChIKey: CLUSCTBEWDBHAY-UHFFFAOYAL

Product Name

2-ACETAMIDO-5-BROMOISONICOTINIC ACID

4-Pyridinecarboxylicacid, 2-(acetylamino)-5-bromo- Specification

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