3-Pyridinecarboxylicacid, 6-amino-5-bromo-, ethyl ester supplier

Name
ETHYL 2-AMINO-3-BROMO-5-PYRIDINECARBOXYLATE
EINECS
CAS No. 850429-51-5
Article Data4
CAS DataBase
Density 1.575 g/cm³
Solubility
Melting Point 125-127 °C
Formula C₈H₉BrN₂O₂
Boiling Point 335.1 °C at 760 mmHg
Molecular Weight 245.076
Flash Point 156.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Ethyl6-amino-5-bromonicotinate;Ethyl 2-amino-3-bromo-5-pyridinecarboxylate;
PSA 65.21000
LogP 2.18420

3-Pyridinecarboxylicacid, 6-amino-5-bromo-, ethyl ester 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 C₈H₉BrN₂O₂and 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

Product Name

ETHYL 2-AMINO-3-BROMO-5-PYRIDINECARBOXYLATE

3-Pyridinecarboxylicacid, 6-amino-5-bromo-, ethyl ester Specification

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