The 2-Amino-4-methoxy-pyridine-3-carbonitrile, with the CAS registry number 98651-70-8, is also known as 3-Pyridinecarbonitrile, 2-amino-4-methoxy-. It belongs to the product categories of Pyridine; Nitrile; Amines; Blocks; Carboxes; Pyridines. This chemical's molecular formula is C7H7N3O and molecular weight is 149.14998. Its IUPAC name is called 2-amino-4-methoxypyridine-3-carbonitrile.
Physical properties of 2-Amino-4-methoxy-pyridine-3-carbonitrile: (1)ACD/LogP: 1.98; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 1.98; (4)ACD/BCF (pH 5.5): 18.12; (5)ACD/BCF (pH 7.4): 18.78; (6)ACD/KOC (pH 5.5): 274.05; (7)ACD/KOC (pH 7.4): 284; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.571; (12)Molar Refractivity: 39.1 cm3; (13)Molar Volume: 118.8 cm3; (14)Surface Tension: 63.2 dyne/cm; (15)Density: 1.25 g/cm3; (16)Flash Point: 167.1 °C; (17)Enthalpy of Vaporization: 59.76 kJ/mol; (18)Boiling Point: 352.7 °C at 760 mmHg; (19)Vapour Pressure: 3.76E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C(=NC=C1)N)C#N
(2)InChI: InChI=1S/C7H7N3O/c1-11-6-2-3-10-7(9)5(6)4-8/h2-3H,1H3,(H2,9,10)
(3)InChIKey: ULYBLKYAFIOZRK-UHFFFAOYSA-N
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