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| CAS No.: | 850429-51-5 |
|---|---|
| Name: | ETHYL 2-AMINO-3-BROMO-5-PYRIDINECARBOXYLATE |
| Article Data: | 4 |
| Molecular Structure: | |
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|
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| Formula: | C8H9BrN2O2 |
| Molecular Weight: | 245.076 |
| Synonyms: | Ethyl6-amino-5-bromonicotinate;Ethyl 2-amino-3-bromo-5-pyridinecarboxylate; |
| Density: | 1.575 g/cm3 |
| Melting Point: | 125-127 °C |
| Boiling Point: | 335.1 °C at 760 mmHg |
| Flash Point: | 156.4 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 65.21000 |
| LogP: | 2.18420 |
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- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
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- Total:18 Page 1 of 1 1
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Specification
The systematic name of 3-Pyridinecarboxylicacid, 6-amino-5-bromo-, ethyl ester is ethyl 6-amino-5-bromopyridine-3-carboxylate. With the CAS registry number 850429-51-5, it is also named as Ethyl 2-amino-3-bromo-5-pyridinecarboxylate. The product's categories are Amines; Blocks; Bromides; Carboxes; Pyridines. It should be stored in cold place. In addition, its molecular formula is C8H9BrN2O2 and its molecular weight is 245.07.
The other characteristics of 3-Pyridinecarboxylicacid, 6-amino-5-bromo-, ethyl ester can be summarized as: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 42.43 Å2; (7)Index of Refraction: 1.592; (8)Molar Refractivity: 52.67 cm3; (9)Molar Volume: 155.5 cm3; (10)Polarizability: 20.88×10-24cm3; (11)Surface Tension: 54.4 dyne/cm; (12)Density: 1.575 g/cm3; (13)Flash Point: 156.4 °C; (14)Melting Point: 125-127 °C; (15)Enthalpy of Vaporization: 57.81 kJ/mol; (16)Boiling Point: 335.1 °C at 760 mmHg; (17)Vapour Pressure: 0.000123 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1cc(C(=O)OCC)cnc1N
(2)InChI: InChI=1/C8H9BrN2O2/c1-2-13-8(12)5-3-6(9)7(10)11-4-5/h3-4H,2H2,1H3,(H2,10,11)
(3)InChIKey: WFPSELYOOKTXKC-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H9BrN2O2/c1-2-13-8(12)5-3-6(9)7(10)11-4-5/h3-4H,2H2,1H3,(H2,10,11)
(5)Std. InChIKey: WFPSELYOOKTXKC-UHFFFAOYSA-N