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951884-75-6

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Basic Information
CAS No.: 951884-75-6
Name: 2-Amino-5-bromo-4-methoxy-3-pyridinecarbonitrile
Molecular Structure:
Molecular Structure of 951884-75-6 (2-Amino-5-bromo-4-methoxy-3-pyridinecarbonitrile)
Formula: C7H6BrN3O
Molecular Weight: 228.046
Synonyms: 2-Amino-5-bromo-4-methoxynicotinonitrile
Density: 1.72 g/cm3
Boiling Point: 338.8 °C at 760 mmHg
Flash Point: 158.7 °C
PSA: 71.93000
LogP: 1.88778
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Specification

The 3-Pyridinecarbonitrile,2-amino-5-bromo-4-methoxy-, with the CAS registry number 951884-75-6, is also known as 2-Amino-5-bromo-4-methoxynicotinonitrile. It belongs to the product categories of Blocks; Bromides; Carboxes. This chemical's molecular formula is C7H6BrN3O and molecular weight is 228.046. Its systematic name is called 2-amino-5-bromo-4-methoxy-pyridine-3-carbonitrile.

Physical properties of 3-Pyridinecarbonitrile,2-amino-5-bromo-4-methoxy-: (1)ACD/LogP: 2.86; (2)ACD/LogD (pH 5.5): 2.86; (3)ACD/LogD (pH 7.4): 2.86; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 1; (7)Index of Refraction: 1.628; (8)Molar Refractivity: 46.82 cm3; (9)Molar Volume: 131.8 cm3; (10)Surface Tension: 73.5 dyne/cm; (11)Density: 1.72 g/cm3; (12)Flash Point: 158.7 °C; (13)Enthalpy of Vaporization: 58.22 kJ/mol; (14)Boiling Point: 338.8 °C at 760 mmHg; (15)Vapour Pressure: 9.57E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1c(cnc(c1C#N)N)Br
(2)InChI: InChI=1/C7H6BrN3O/c1-12-6-4(2-9)7(10)11-3-5(6)8/h3H,1H3,(H2,10,11)
(3)InChIKey: CGPCHEQVFUTJLL-UHFFFAOYAV