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1214374-01-2

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Basic Information
CAS No.: 1214374-01-2
Name: 2-Amino-5-bromo-4-pyridinecarboxylic acid ethyl ester
Molecular Structure:
Molecular Structure of 1214374-01-2 (2-Amino-5-bromo-4-pyridinecarboxylic acid ethyl ester)
Formula: C8H9BrN2O2
Molecular Weight: 245.07
Synonyms: 2-Amino-5-bromoisonicotinic acid ethyl ester;Ethyl 2-amino-5-bromoisonicotinate;Ethyl 2-amino-5-bromo-4-pyridinecarboxylate;Ethyl 2-amino-5-bromopyridine-4-carboxylate;
Density: 1.575 g/cm3
Boiling Point: 323.9 °C at 760 mmHg
Flash Point: 149.7 °C
PSA: 65.94000
LogP: 1.53310
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Specification

The 4-Pyridinecarboxylic acid, 2-amino-5-bromo-, ethyl ester, with the CAS registry number 1214374-01-2, is also known as Ethyl 2-amino-5-bromo-4-pyridinecarboxylate. This chemical's molecular formula is C8H9BrN2O2 and molecular weight is 245.07. What's more, its systematic name is ethyl 2-amino-5-bromopyridine-4-carboxylate.

Physical properties of 4-Pyridinecarboxylic acid, 2-amino-5-bromo-, ethyl ester are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.94; (6)ACD/BCF (pH 7.4): 36.02; (7)ACD/KOC (pH 5.5): 451.62; (8)ACD/KOC (pH 7.4): 452.66; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 65.21 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 52.67 cm3; (15)Molar Volume: 155.5 cm3; (16)Polarizability: 20.88×10-24cm3; (17)Surface Tension: 54.4 dyne/cm; (18)Density: 1.575 g/cm3; (19)Flash Point: 149.7 °C; (20)Enthalpy of Vaporization: 56.59 kJ/mol; (21)Boiling Point: 323.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000254 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cc(N)ncc1Br
(2)InChI: InChI=1S/C8H9BrN2O2/c1-2-13-8(12)5-3-7(10)11-4-6(5)9/h3-4H,2H2,1H3,(H2,10,11)
(3)InChIKey: FNSPCNYWTZSYEH-UHFFFAOYSA-N