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178876-82-9

Basic Information
CAS No.: 178876-82-9
Name: Methyl 6-amino-5-bromopyridine-2-carboxylate
Article Data: 19
Molecular Structure:
Molecular Structure of 178876-82-9 (Methyl 6-amino-5-bromopyridine-2-carboxylate)
Formula: C7H7BrN2O2
Molecular Weight: 231.049
Synonyms: 6-Amino-5-bromopyridine-2-carboxylic acid methyl ester;
Density: 1.662 g/cm3
Melting Point: 143-145 °C
Boiling Point: 359.186 °C at 760 mmHg
Flash Point: 171.03 °C
PSA: 65.21000
LogP: 1.79410
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Specification

The Methyl 6-amino-5-bromopyridine-2-carboxylate, with the CAS registry number 178876-82-9, has the molecular formula C7H7BrN2O2. In addition, its molecular weight is 231.0467. Its systematic name is called methyl 6-amino-5-bromopyridine-2-carboxylate.

Physical properties of Methyl 6-amino-5-bromopyridine-2-carboxylate: (1)ACD/LogP: 1.61; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 19; (5)ACD/BCF (pH 7.4): 19; (6)ACD/KOC (pH 5.5): 286; (7)ACD/KOC (pH 7.4): 286; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.608; (12)Molar Refractivity: 48.044 cm3; (13)Molar Volume: 139.015 cm3; (14)Surface Tension: 57.376 dyne/cm; (15)Density: 1.662 g/cm3; (16)Flash Point: 171.03 °C; (17)Enthalpy of Vaporization: 60.476 kJ/mol; (18)Boiling Point: 359.186 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(nc1N)C(=O)OC
(2)InChI: InChI=1/C7H7BrN2O2/c1-12-7(11)5-3-2-4(8)6(9)10-5/h2-3H,1H3,(H2,9,10)
(3)InChIKey: OQUCMNQHZFOMPC-UHFFFAOYAW