The 2-(2-Oxo-1-pyridinyl)acetonitrile, with CAS registry number 218921-11-0, belongs to the following product category: Pyridine. It has the systematic name of (2-oxopyridin-1(2H)-yl)acetonitrile. Besides this, it is also called Acetonitrile, (2-pyridinyloxy)- (9CI). And the chemical formula of this chemical is C7H6N2O.
Physical properties of 2-(2-Oxo-1-pyridinyl)acetonitrile: (1)ACD/LogP: -0.75; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 44.1 Å2; (7)Index of Refraction: 1.543; (8)Molar Refractivity: 35.2 cm3; (9)Molar Volume: 111.5 cm3; (10)Polarizability: 13.95×10-24cm3; (11)Surface Tension: 50.1 dyne/cm; (12)Density: 1.202 g/cm3; (13)Flash Point: 182.2 °C; (14)Enthalpy of Vaporization: 62.55 kJ/mol; (15)Boiling Point: 377.7 °C at 760 mmHg; (16)Vapour Pressure: 6.64E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCN1/C=C\C=C/C1=O
(2)InChI: InChI=1/C7H6N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,6H2
(3)InChIKey: DWDWZOINPDAWBD-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H6N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,6H2
(5)Std. InChIKey: DWDWZOINPDAWBD-UHFFFAOYSA-N
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